Showing NP-Card for Mathermycin (NP0016653)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:34:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:23:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016653 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Mathermycin | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Mathermycin is found in Marinactinospora and Marinactinospora thermotolerans. It was first documented in 2017 (PMID: 28576760). Based on a literature review very few articles have been published on (1S,4S,13S,16S,19R,22S,25S,28S,31S,37S,41R,44R,47S,50S,53R,56R,65S,71R)-44-amino-4,16-dibenzyl-22-[(2S)-butan-2-yl]-31-[(R)-carboxy(hydroxy)methyl]-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-[(1S)-1-hydroxyethyl]-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-8-oxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.3¹⁹,⁵⁶.3²⁸,⁵³.0⁹,¹³]Triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid (PMID: 33476679). | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0016653 (Mathermycin)
Mrv1652307042107223D
244250 0 0 0 0 999 V2000
6.5375 -6.8793 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3481 -5.3656 1.7048 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9124 -5.0679 1.9497 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5189 -5.8007 3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9926 -5.6142 0.8837 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2272 -5.0977 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1237 -4.1436 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9369 -4.4988 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2838 -2.7285 -0.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0467 -1.9530 -1.4202 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8760 -0.8629 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6104 0.2029 -1.8828 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0334 -0.7402 -0.3016 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0418 -1.8874 -0.4747 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5802 -1.9077 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7141 -1.1686 -2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2583 -1.1547 -3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6884 -1.8870 -4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5733 -2.6286 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0307 -2.6350 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7032 -0.5148 1.0839 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8902 0.7223 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1904 0.9319 2.7995 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8605 1.7494 1.3031 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2515 1.1255 1.4432 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9223 1.8960 2.5588 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2940 3.2422 2.4229 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8807 2.8973 2.1753 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7607 3.5673 2.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7969 3.8580 3.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5511 3.9679 1.9415 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8562 5.0095 2.6731 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4510 5.1719 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9062 5.4914 3.8396 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5357 4.9957 1.5780 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8571 5.9211 0.4314 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7846 7.3458 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 8.0098 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 9.3538 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6872 10.0105 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 9.3413 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 7.9977 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 5.1293 1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1283 4.1898 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 3.8557 2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 3.5135 0.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0421 4.4852 -0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2148 4.7965 0.2489 N 0 0 2 0 0 0 0 0 0 0 0 0
-1.4389 6.2145 0.4408 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5168 6.3505 1.5114 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6627 5.3900 1.2151 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9129 5.8047 1.9650 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9069 4.6681 2.0343 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5331 4.7225 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7510 4.8324 3.6061 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6671 4.6420 4.4828 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 4.7538 0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9770 3.8895 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0960 4.3614 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 2.4181 1.0373 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8496 2.0740 2.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1391 0.7796 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3524 0.4798 2.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1691 -0.3213 2.7456 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3049 -0.7747 4.2031 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6724 -1.2700 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9586 0.2774 5.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8014 0.0467 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9198 -0.5810 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 0.0798 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9000 -2.0795 1.4615 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8879 -2.6120 2.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 -3.8096 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -3.9350 2.8247 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5908 -4.9920 1.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2323 -6.1974 2.2058 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7446 -5.9123 3.4988 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0279 -7.3517 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8081 -7.8828 0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0699 -7.8945 2.5145 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -4.9689 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -5.6529 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7249 -6.3450 -1.7518 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -5.7515 -0.6583 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1636 -4.5099 -0.0758 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4959 -3.3943 -1.3790 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 -1.7095 -1.0713 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5895 -1.8337 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.7884 -2.2524 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3585 -1.5294 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 -1.1100 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.8741 -4.6587 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0824 0.0999 -5.2783 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1644 1.4026 -4.5271 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9178 2.4002 -5.5147 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 0.0433 -6.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3035 0.6736 -6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 1.3602 -7.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3558 0.6409 -5.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4509 -0.2559 -5.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8092 2.0095 -5.1906 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1203 2.4780 -5.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4257 3.4676 -5.9347 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 1.9729 -4.3688 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1536 1.1272 -5.1695 N 0 0 2 0 0 0 0 0 0 0 0 0
-7.8705 1.2844 -3.1025 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6922 2.4396 -1.7172 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 1.6675 -0.2339 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8545 1.5896 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 -0.2566 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 -0.5782 -3.5627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 0.5620 -1.5821 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5415 0.2904 -0.2054 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9722 0.8030 0.0334 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1293 -0.4774 0.4643 S 0 0 0 0 0 0 0 0 0 0 0 0
3.9299 -2.0326 -0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3197 -1.9468 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 0.9936 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3931 0.3194 1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 2.2804 0.6613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 -6.9842 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -7.6734 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -8.9557 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 -7.0784 -0.2051 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2276 -8.1398 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -6.4988 1.0563 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 -5.5542 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2758 -4.5049 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5979 -7.1654 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7975 -7.4457 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3893 -7.1448 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6970 -4.8939 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -5.0240 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7301 -4.0021 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 -5.9491 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 -6.7929 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 -5.1777 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -6.7179 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -5.5452 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8005 -2.6967 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 -2.2939 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 0.1666 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5642 -2.8656 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8989 -1.6913 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1966 -0.5776 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1506 -0.5606 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1355 -1.8625 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1131 -3.2155 -4.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1684 -3.2205 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2958 -1.2947 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6461 2.0254 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 0.0735 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7828 1.2786 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6387 1.4823 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0207 1.9774 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4236 3.7926 3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6871 3.8347 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8614 4.4496 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9225 3.1026 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4757 5.6896 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 3.9599 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 5.6963 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 5.6397 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6773 7.5084 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 9.9018 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6626 11.0682 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7931 9.7999 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 7.4630 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 5.9957 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 3.3780 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 5.4375 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.1594 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 4.3441 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 6.7177 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6862 6.7551 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 7.3627 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 6.0414 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 5.3906 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 4.3622 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6835 6.1761 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3997 6.6236 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3228 3.7215 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4434 5.4785 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7675 5.5334 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8969 2.1348 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3617 2.8560 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4787 -1.1426 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5228 -1.5697 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5663 -2.1207 5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3233 -0.4841 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1289 -1.7008 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7717 0.6344 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 0.8218 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6972 -2.2700 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8695 -2.5002 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6465 -2.0255 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7466 -4.9791 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 -6.3688 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6704 -6.7035 4.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8246 -8.4152 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 -4.2282 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -5.7837 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 -4.6632 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -3.9360 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 -1.3540 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 -0.8742 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -2.5958 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -2.0705 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6546 0.0498 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -2.5241 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 0.1271 -5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 1.5416 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1379 1.6378 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2821 2.0585 -6.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -0.5569 -7.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9993 0.2006 -4.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0564 -0.7143 -5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9777 0.2711 -6.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9131 -1.1091 -6.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0269 2.7242 -5.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9315 2.8266 -4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4119 1.7192 -5.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9922 0.9576 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 0.6719 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7111 0.5815 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9464 0.6290 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3489 1.9861 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2222 2.1386 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1864 0.5257 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 1.5218 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 -0.7930 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 1.3110 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 1.5568 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2719 -2.6813 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8958 -2.6538 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -2.3643 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 -0.9652 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 2.4197 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -7.4504 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -6.3527 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 -7.8181 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 -8.4543 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 -9.0144 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -6.8311 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
35 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
53 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
64 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
75 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
93 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
89110 1 0 0 0 0
110111 2 0 0 0 0
110112 1 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
116117 1 0 0 0 0
113118 1 0 0 0 0
118119 2 0 0 0 0
118120 1 0 0 0 0
84121 1 0 0 0 0
121122 1 0 0 0 0
122123 2 0 0 0 0
122124 1 0 0 0 0
124125 1 0 0 0 0
124126 1 0 0 0 0
126127 1 0 0 0 0
127128 2 0 0 0 0
127 5 1 0 0 0 0
116 9 1 0 0 0 0
20 15 1 0 0 0 0
28 24 1 0 0 0 0
42 37 1 0 0 0 0
120 46 1 0 0 0 0
108 60 1 0 0 0 0
1129 1 0 0 0 0
1130 1 0 0 0 0
1131 1 0 0 0 0
2132 1 0 0 0 0
2133 1 0 0 0 0
3134 1 1 0 0 0
4135 1 0 0 0 0
4136 1 0 0 0 0
4137 1 0 0 0 0
5138 1 6 0 0 0
6139 1 0 0 0 0
9140 1 1 0 0 0
10141 1 0 0 0 0
13142 1 6 0 0 0
14143 1 0 0 0 0
14144 1 0 0 0 0
16145 1 0 0 0 0
17146 1 0 0 0 0
18147 1 0 0 0 0
19148 1 0 0 0 0
20149 1 0 0 0 0
21150 1 0 0 0 0
24151 1 6 0 0 0
25152 1 0 0 0 0
25153 1 0 0 0 0
26154 1 0 0 0 0
26155 1 0 0 0 0
27156 1 0 0 0 0
27157 1 0 0 0 0
31158 1 0 0 0 0
31159 1 0 0 0 0
32160 1 0 0 0 0
35161 1 6 0 0 0
36162 1 0 0 0 0
36163 1 0 0 0 0
38164 1 0 0 0 0
39165 1 0 0 0 0
40166 1 0 0 0 0
41167 1 0 0 0 0
42168 1 0 0 0 0
43169 1 0 0 0 0
46170 1 6 0 0 0
47171 1 0 0 0 0
47172 1 0 0 0 0
48173 1 0 0 0 0
49174 1 0 0 0 0
49175 1 0 0 0 0
50176 1 0 0 0 0
50177 1 0 0 0 0
51178 1 0 0 0 0
51179 1 0 0 0 0
52180 1 0 0 0 0
52181 1 0 0 0 0
53182 1 6 0 0 0
56183 1 0 0 0 0
57184 1 0 0 0 0
60185 1 1 0 0 0
61186 1 0 0 0 0
64187 1 6 0 0 0
65188 1 6 0 0 0
66189 1 0 0 0 0
66190 1 0 0 0 0
66191 1 0 0 0 0
67192 1 0 0 0 0
68193 1 0 0 0 0
71194 1 0 0 0 0
71195 1 0 0 0 0
72196 1 0 0 0 0
75197 1 6 0 0 0
76198 1 1 0 0 0
77199 1 0 0 0 0
80200 1 0 0 0 0
81201 1 0 0 0 0
84202 1 6 0 0 0
85203 1 0 0 0 0
85204 1 0 0 0 0
87205 1 1 0 0 0
88206 1 0 0 0 0
88207 1 0 0 0 0
88208 1 0 0 0 0
89209 1 1 0 0 0
90210 1 0 0 0 0
93211 1 6 0 0 0
94212 1 0 0 0 0
94213 1 0 0 0 0
95214 1 0 0 0 0
96215 1 0 0 0 0
99216 1 1 0 0 0
100217 1 0 0 0 0
100218 1 0 0 0 0
100219 1 0 0 0 0
101220 1 0 0 0 0
104221 1 1 0 0 0
105222 1 0 0 0 0
105223 1 0 0 0 0
106224 1 0 0 0 0
106225 1 0 0 0 0
108226 1 1 0 0 0
109227 1 0 0 0 0
109228 1 0 0 0 0
109229 1 0 0 0 0
112230 1 0 0 0 0
113231 1 1 0 0 0
114232 1 0 0 0 0
114233 1 0 0 0 0
116234 1 1 0 0 0
117235 1 0 0 0 0
117236 1 0 0 0 0
117237 1 0 0 0 0
120238 1 0 0 0 0
121239 1 0 0 0 0
124240 1 6 0 0 0
125241 1 0 0 0 0
125242 1 0 0 0 0
125243 1 0 0 0 0
126244 1 0 0 0 0
M END
3D MOL for NP0016653 (Mathermycin)
RDKit 3D
244250 0 0 0 0 0 0 0 0999 V2000
6.5375 -6.8793 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3481 -5.3656 1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 -5.0679 1.9497 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5189 -5.8007 3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9926 -5.6142 0.8837 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2272 -5.0977 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1237 -4.1436 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9369 -4.4988 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2838 -2.7285 -0.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0467 -1.9530 -1.4202 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8760 -0.8629 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6104 0.2029 -1.8828 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0334 -0.7402 -0.3016 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0418 -1.8874 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5802 -1.9077 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7141 -1.1686 -2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2583 -1.1547 -3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6884 -1.8870 -4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5733 -2.6286 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0307 -2.6350 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7032 -0.5148 1.0839 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8902 0.7223 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1904 0.9319 2.7995 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8605 1.7494 1.3031 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2515 1.1255 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9223 1.8960 2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2940 3.2422 2.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8807 2.8973 2.1753 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7607 3.5673 2.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7969 3.8580 3.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5511 3.9679 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8562 5.0095 2.6731 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4510 5.1719 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9062 5.4914 3.8396 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5357 4.9957 1.5780 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8571 5.9211 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7846 7.3458 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 8.0098 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 9.3538 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6872 10.0105 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 9.3413 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 7.9977 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 5.1293 1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1283 4.1898 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 3.8557 2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 3.5135 0.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0421 4.4852 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 4.7965 0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4389 6.2145 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 6.3505 1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 5.3900 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9129 5.8047 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9069 4.6681 2.0343 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5331 4.7225 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7510 4.8324 3.6061 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6671 4.6420 4.4828 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 4.7538 0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9770 3.8895 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0960 4.3614 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 2.4181 1.0373 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8496 2.0740 2.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1391 0.7796 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3524 0.4798 2.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1691 -0.3213 2.7456 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3049 -0.7747 4.2031 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6724 -1.2700 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9586 0.2774 5.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8014 0.0467 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9198 -0.5810 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 0.0798 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9000 -2.0795 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8879 -2.6120 2.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 -3.8096 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -3.9350 2.8247 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5908 -4.9920 1.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2323 -6.1974 2.2058 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7446 -5.9123 3.4988 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0279 -7.3517 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8081 -7.8828 0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0699 -7.8945 2.5145 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -4.9689 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -5.6529 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7249 -6.3450 -1.7518 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -5.7515 -0.6583 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1636 -4.5099 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 -3.3943 -1.3790 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 -1.7095 -1.0713 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5895 -1.8337 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.7884 -2.2524 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3585 -1.5294 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 -1.1100 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.8741 -4.6587 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0824 0.0999 -5.2783 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1644 1.4026 -4.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9178 2.4002 -5.5147 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 0.0433 -6.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3035 0.6736 -6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 1.3602 -7.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3558 0.6409 -5.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4509 -0.2559 -5.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8092 2.0095 -5.1906 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1203 2.4780 -5.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4257 3.4676 -5.9347 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 1.9729 -4.3688 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1536 1.1272 -5.1695 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8705 1.2844 -3.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6922 2.4396 -1.7172 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 1.6675 -0.2339 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8545 1.5896 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 -0.2566 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 -0.5782 -3.5627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 0.5620 -1.5821 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5415 0.2904 -0.2054 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9722 0.8030 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1293 -0.4774 0.4643 S 0 0 0 0 0 0 0 0 0 0 0 0
3.9299 -2.0326 -0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3197 -1.9468 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 0.9936 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3931 0.3194 1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 2.2804 0.6613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 -6.9842 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -7.6734 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -8.9557 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 -7.0784 -0.2051 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2276 -8.1398 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -6.4988 1.0563 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 -5.5542 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2758 -4.5049 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5979 -7.1654 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7975 -7.4457 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3893 -7.1448 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6970 -4.8939 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -5.0240 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7301 -4.0021 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 -5.9491 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 -6.7929 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 -5.1777 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -6.7179 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -5.5452 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8005 -2.6967 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 -2.2939 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 0.1666 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5642 -2.8656 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8989 -1.6913 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1966 -0.5776 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1506 -0.5606 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1355 -1.8625 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1131 -3.2155 -4.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1684 -3.2205 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2958 -1.2947 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6461 2.0254 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 0.0735 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7828 1.2786 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6387 1.4823 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0207 1.9774 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4236 3.7926 3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6871 3.8347 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8614 4.4496 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9225 3.1026 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4757 5.6896 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 3.9599 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 5.6963 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 5.6397 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6773 7.5084 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 9.9018 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6626 11.0682 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7931 9.7999 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 7.4630 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 5.9957 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 3.3780 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 5.4375 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.1594 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 4.3441 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 6.7177 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6862 6.7551 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 7.3627 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 6.0414 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 5.3906 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 4.3622 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6835 6.1761 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3997 6.6236 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3228 3.7215 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4434 5.4785 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7675 5.5334 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8969 2.1348 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3617 2.8560 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4787 -1.1426 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5228 -1.5697 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5663 -2.1207 5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3233 -0.4841 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1289 -1.7008 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7717 0.6344 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 0.8218 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6972 -2.2700 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8695 -2.5002 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6465 -2.0255 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7466 -4.9791 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 -6.3688 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6704 -6.7035 4.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8246 -8.4152 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 -4.2282 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -5.7837 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 -4.6632 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -3.9360 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 -1.3540 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 -0.8742 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -2.5958 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -2.0705 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6546 0.0498 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -2.5241 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 0.1271 -5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 1.5416 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1379 1.6378 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2821 2.0585 -6.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -0.5569 -7.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9993 0.2006 -4.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0564 -0.7143 -5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9777 0.2711 -6.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9131 -1.1091 -6.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0269 2.7242 -5.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9315 2.8266 -4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4119 1.7192 -5.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9922 0.9576 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 0.6719 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7111 0.5815 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9464 0.6290 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3489 1.9861 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2222 2.1386 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1864 0.5257 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 1.5218 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 -0.7930 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 1.3110 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 1.5568 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2719 -2.6813 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8958 -2.6538 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -2.3643 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 -0.9652 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 2.4197 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -7.4504 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -6.3527 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 -7.8181 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 -8.4543 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 -9.0144 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -6.8311 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
13 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
35 43 1 0
43 44 1 0
44 45 2 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 2 0
54 56 1 0
53 57 1 0
57 58 1 0
58 59 2 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
65 67 1 0
64 68 1 0
68 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
78 79 2 0
78 80 1 0
75 81 1 0
81 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
87 89 1 0
89 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
93 96 1 0
96 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
99101 1 0
101102 1 0
102103 2 0
102104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 1 0
108109 1 0
89110 1 0
110111 2 0
110112 1 0
112113 1 0
113114 1 0
114115 1 0
115116 1 0
116117 1 0
113118 1 0
118119 2 0
118120 1 0
84121 1 0
121122 1 0
122123 2 0
122124 1 0
124125 1 0
124126 1 0
126127 1 0
127128 2 0
127 5 1 0
116 9 1 0
20 15 1 0
28 24 1 0
42 37 1 0
120 46 1 0
108 60 1 0
1129 1 0
1130 1 0
1131 1 0
2132 1 0
2133 1 0
3134 1 1
4135 1 0
4136 1 0
4137 1 0
5138 1 6
6139 1 0
9140 1 1
10141 1 0
13142 1 6
14143 1 0
14144 1 0
16145 1 0
17146 1 0
18147 1 0
19148 1 0
20149 1 0
21150 1 0
24151 1 6
25152 1 0
25153 1 0
26154 1 0
26155 1 0
27156 1 0
27157 1 0
31158 1 0
31159 1 0
32160 1 0
35161 1 6
36162 1 0
36163 1 0
38164 1 0
39165 1 0
40166 1 0
41167 1 0
42168 1 0
43169 1 0
46170 1 6
47171 1 0
47172 1 0
48173 1 0
49174 1 0
49175 1 0
50176 1 0
50177 1 0
51178 1 0
51179 1 0
52180 1 0
52181 1 0
53182 1 6
56183 1 0
57184 1 0
60185 1 1
61186 1 0
64187 1 6
65188 1 6
66189 1 0
66190 1 0
66191 1 0
67192 1 0
68193 1 0
71194 1 0
71195 1 0
72196 1 0
75197 1 6
76198 1 1
77199 1 0
80200 1 0
81201 1 0
84202 1 6
85203 1 0
85204 1 0
87205 1 1
88206 1 0
88207 1 0
88208 1 0
89209 1 1
90210 1 0
93211 1 6
94212 1 0
94213 1 0
95214 1 0
96215 1 0
99216 1 1
100217 1 0
100218 1 0
100219 1 0
101220 1 0
104221 1 1
105222 1 0
105223 1 0
106224 1 0
106225 1 0
108226 1 1
109227 1 0
109228 1 0
109229 1 0
112230 1 0
113231 1 1
114232 1 0
114233 1 0
116234 1 1
117235 1 0
117236 1 0
117237 1 0
120238 1 0
121239 1 0
124240 1 6
125241 1 0
125242 1 0
125243 1 0
126244 1 0
M END
3D SDF for NP0016653 (Mathermycin)
Mrv1652307042107223D
244250 0 0 0 0 999 V2000
6.5375 -6.8793 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3481 -5.3656 1.7048 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9124 -5.0679 1.9497 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5189 -5.8007 3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9926 -5.6142 0.8837 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2272 -5.0977 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1237 -4.1436 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9369 -4.4988 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2838 -2.7285 -0.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0467 -1.9530 -1.4202 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8760 -0.8629 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6104 0.2029 -1.8828 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0334 -0.7402 -0.3016 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0418 -1.8874 -0.4747 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5802 -1.9077 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7141 -1.1686 -2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2583 -1.1547 -3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6884 -1.8870 -4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5733 -2.6286 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0307 -2.6350 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7032 -0.5148 1.0839 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8902 0.7223 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1904 0.9319 2.7995 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8605 1.7494 1.3031 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2515 1.1255 1.4432 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9223 1.8960 2.5588 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2940 3.2422 2.4229 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8807 2.8973 2.1753 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7607 3.5673 2.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7969 3.8580 3.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5511 3.9679 1.9415 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8562 5.0095 2.6731 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4510 5.1719 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9062 5.4914 3.8396 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5357 4.9957 1.5780 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8571 5.9211 0.4314 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7846 7.3458 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 8.0098 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 9.3538 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6872 10.0105 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 9.3413 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 7.9977 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 5.1293 1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1283 4.1898 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 3.8557 2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 3.5135 0.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0421 4.4852 -0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2148 4.7965 0.2489 N 0 0 2 0 0 0 0 0 0 0 0 0
-1.4389 6.2145 0.4408 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5168 6.3505 1.5114 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6627 5.3900 1.2151 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9129 5.8047 1.9650 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9069 4.6681 2.0343 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5331 4.7225 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7510 4.8324 3.6061 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6671 4.6420 4.4828 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 4.7538 0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9770 3.8895 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0960 4.3614 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 2.4181 1.0373 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8496 2.0740 2.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1391 0.7796 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3524 0.4798 2.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1691 -0.3213 2.7456 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3049 -0.7747 4.2031 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6724 -1.2700 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9586 0.2774 5.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8014 0.0467 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9198 -0.5810 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 0.0798 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9000 -2.0795 1.4615 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8879 -2.6120 2.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 -3.8096 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -3.9350 2.8247 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5908 -4.9920 1.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2323 -6.1974 2.2058 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7446 -5.9123 3.4988 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0279 -7.3517 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8081 -7.8828 0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0699 -7.8945 2.5145 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -4.9689 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -5.6529 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7249 -6.3450 -1.7518 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -5.7515 -0.6583 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1636 -4.5099 -0.0758 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4959 -3.3943 -1.3790 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 -1.7095 -1.0713 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5895 -1.8337 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.7884 -2.2524 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3585 -1.5294 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 -1.1100 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.8741 -4.6587 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0824 0.0999 -5.2783 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1644 1.4026 -4.5271 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9178 2.4002 -5.5147 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 0.0433 -6.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3035 0.6736 -6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 1.3602 -7.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3558 0.6409 -5.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4509 -0.2559 -5.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8092 2.0095 -5.1906 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1203 2.4780 -5.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4257 3.4676 -5.9347 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 1.9729 -4.3688 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1536 1.1272 -5.1695 N 0 0 2 0 0 0 0 0 0 0 0 0
-7.8705 1.2844 -3.1025 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6922 2.4396 -1.7172 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 1.6675 -0.2339 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8545 1.5896 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 -0.2566 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 -0.5782 -3.5627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 0.5620 -1.5821 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5415 0.2904 -0.2054 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9722 0.8030 0.0334 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1293 -0.4774 0.4643 S 0 0 0 0 0 0 0 0 0 0 0 0
3.9299 -2.0326 -0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3197 -1.9468 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 0.9936 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3931 0.3194 1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 2.2804 0.6613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 -6.9842 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -7.6734 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -8.9557 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 -7.0784 -0.2051 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2276 -8.1398 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -6.4988 1.0563 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 -5.5542 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2758 -4.5049 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5979 -7.1654 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7975 -7.4457 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3893 -7.1448 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6970 -4.8939 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -5.0240 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7301 -4.0021 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 -5.9491 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 -6.7929 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 -5.1777 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -6.7179 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -5.5452 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8005 -2.6967 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 -2.2939 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 0.1666 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5642 -2.8656 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8989 -1.6913 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1966 -0.5776 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1506 -0.5606 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1355 -1.8625 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1131 -3.2155 -4.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1684 -3.2205 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2958 -1.2947 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6461 2.0254 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 0.0735 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7828 1.2786 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6387 1.4823 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0207 1.9774 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4236 3.7926 3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6871 3.8347 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8614 4.4496 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9225 3.1026 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4757 5.6896 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 3.9599 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 5.6963 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 5.6397 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6773 7.5084 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 9.9018 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6626 11.0682 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7931 9.7999 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 7.4630 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 5.9957 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 3.3780 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 5.4375 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.1594 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 4.3441 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 6.7177 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6862 6.7551 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 7.3627 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 6.0414 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 5.3906 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 4.3622 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6835 6.1761 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3997 6.6236 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3228 3.7215 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4434 5.4785 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7675 5.5334 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8969 2.1348 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3617 2.8560 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4787 -1.1426 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5228 -1.5697 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5663 -2.1207 5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3233 -0.4841 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1289 -1.7008 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7717 0.6344 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 0.8218 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6972 -2.2700 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8695 -2.5002 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6465 -2.0255 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7466 -4.9791 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 -6.3688 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6704 -6.7035 4.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8246 -8.4152 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 -4.2282 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -5.7837 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 -4.6632 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -3.9360 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 -1.3540 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 -0.8742 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -2.5958 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -2.0705 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6546 0.0498 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -2.5241 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 0.1271 -5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 1.5416 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1379 1.6378 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2821 2.0585 -6.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -0.5569 -7.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9993 0.2006 -4.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0564 -0.7143 -5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9777 0.2711 -6.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9131 -1.1091 -6.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0269 2.7242 -5.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9315 2.8266 -4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4119 1.7192 -5.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9922 0.9576 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 0.6719 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7111 0.5815 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9464 0.6290 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3489 1.9861 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2222 2.1386 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1864 0.5257 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 1.5218 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 -0.7930 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 1.3110 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 1.5568 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2719 -2.6813 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8958 -2.6538 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -2.3643 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 -0.9652 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 2.4197 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -7.4504 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -6.3527 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 -7.8181 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 -8.4543 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 -9.0144 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -6.8311 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
35 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
53 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
64 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
75 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
93 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
89110 1 0 0 0 0
110111 2 0 0 0 0
110112 1 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
116117 1 0 0 0 0
113118 1 0 0 0 0
118119 2 0 0 0 0
118120 1 0 0 0 0
84121 1 0 0 0 0
121122 1 0 0 0 0
122123 2 0 0 0 0
122124 1 0 0 0 0
124125 1 0 0 0 0
124126 1 0 0 0 0
126127 1 0 0 0 0
127128 2 0 0 0 0
127 5 1 0 0 0 0
116 9 1 0 0 0 0
20 15 1 0 0 0 0
28 24 1 0 0 0 0
42 37 1 0 0 0 0
120 46 1 0 0 0 0
108 60 1 0 0 0 0
1129 1 0 0 0 0
1130 1 0 0 0 0
1131 1 0 0 0 0
2132 1 0 0 0 0
2133 1 0 0 0 0
3134 1 1 0 0 0
4135 1 0 0 0 0
4136 1 0 0 0 0
4137 1 0 0 0 0
5138 1 6 0 0 0
6139 1 0 0 0 0
9140 1 1 0 0 0
10141 1 0 0 0 0
13142 1 6 0 0 0
14143 1 0 0 0 0
14144 1 0 0 0 0
16145 1 0 0 0 0
17146 1 0 0 0 0
18147 1 0 0 0 0
19148 1 0 0 0 0
20149 1 0 0 0 0
21150 1 0 0 0 0
24151 1 6 0 0 0
25152 1 0 0 0 0
25153 1 0 0 0 0
26154 1 0 0 0 0
26155 1 0 0 0 0
27156 1 0 0 0 0
27157 1 0 0 0 0
31158 1 0 0 0 0
31159 1 0 0 0 0
32160 1 0 0 0 0
35161 1 6 0 0 0
36162 1 0 0 0 0
36163 1 0 0 0 0
38164 1 0 0 0 0
39165 1 0 0 0 0
40166 1 0 0 0 0
41167 1 0 0 0 0
42168 1 0 0 0 0
43169 1 0 0 0 0
46170 1 6 0 0 0
47171 1 0 0 0 0
47172 1 0 0 0 0
48173 1 0 0 0 0
49174 1 0 0 0 0
49175 1 0 0 0 0
50176 1 0 0 0 0
50177 1 0 0 0 0
51178 1 0 0 0 0
51179 1 0 0 0 0
52180 1 0 0 0 0
52181 1 0 0 0 0
53182 1 6 0 0 0
56183 1 0 0 0 0
57184 1 0 0 0 0
60185 1 1 0 0 0
61186 1 0 0 0 0
64187 1 6 0 0 0
65188 1 6 0 0 0
66189 1 0 0 0 0
66190 1 0 0 0 0
66191 1 0 0 0 0
67192 1 0 0 0 0
68193 1 0 0 0 0
71194 1 0 0 0 0
71195 1 0 0 0 0
72196 1 0 0 0 0
75197 1 6 0 0 0
76198 1 1 0 0 0
77199 1 0 0 0 0
80200 1 0 0 0 0
81201 1 0 0 0 0
84202 1 6 0 0 0
85203 1 0 0 0 0
85204 1 0 0 0 0
87205 1 1 0 0 0
88206 1 0 0 0 0
88207 1 0 0 0 0
88208 1 0 0 0 0
89209 1 1 0 0 0
90210 1 0 0 0 0
93211 1 6 0 0 0
94212 1 0 0 0 0
94213 1 0 0 0 0
95214 1 0 0 0 0
96215 1 0 0 0 0
99216 1 1 0 0 0
100217 1 0 0 0 0
100218 1 0 0 0 0
100219 1 0 0 0 0
101220 1 0 0 0 0
104221 1 1 0 0 0
105222 1 0 0 0 0
105223 1 0 0 0 0
106224 1 0 0 0 0
106225 1 0 0 0 0
108226 1 1 0 0 0
109227 1 0 0 0 0
109228 1 0 0 0 0
109229 1 0 0 0 0
112230 1 0 0 0 0
113231 1 1 0 0 0
114232 1 0 0 0 0
114233 1 0 0 0 0
116234 1 1 0 0 0
117235 1 0 0 0 0
117236 1 0 0 0 0
117237 1 0 0 0 0
120238 1 0 0 0 0
121239 1 0 0 0 0
124240 1 6 0 0 0
125241 1 0 0 0 0
125242 1 0 0 0 0
125243 1 0 0 0 0
126244 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016653
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(O[H])[C@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]4([H])N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]5([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])S[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C1=O)[C@@]([H])(O[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C5([H])[H])C([H])([H])[H])C([H])([H])O[H])[C@]([H])(SC2([H])[H])C([H])([H])[H])C([H])([H])S[C@@]3([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C80H116N20O25S3/c1-9-36(2)56-74(117)86-38(4)64(107)92-52-35-128-41(7)58-77(120)93-51-34-127-42(8)60(78(121)95-56)96-67(110)48(28-44-21-14-11-15-22-44)89-72(115)53-24-18-26-100(53)55(104)31-84-66(109)47(27-43-19-12-10-13-20-43)88-68(111)49(90-70(51)113)29-82-25-17-16-23-46(79(122)123)87-76(119)59(40(6)126-33-45(81)65(108)85-37(3)63(106)91-50(32-101)69(112)97-58)98-75(118)57(39(5)102)94-54(103)30-83-73(116)61(99-71(52)114)62(105)80(124)125/h10-15,19-22,36-42,45-53,56-62,82,101-102,105H,9,16-18,23-35,81H2,1-8H3,(H,83,116)(H,84,109)(H,85,108)(H,86,117)(H,87,119)(H,88,111)(H,89,115)(H,90,113)(H,91,106)(H,92,107)(H,93,120)(H,94,103)(H,95,121)(H,96,110)(H,97,112)(H,98,118)(H,99,114)(H,122,123)(H,124,125)/t36-,37-,38-,39-,40+,41+,42-,45-,46-,47-,48-,49-,50-,51-,52+,53-,56-,57-,58-,59-,60-,61-,62+/m0/s1
> <INCHI_KEY>
DNVMJLMJKLCCOS-KSFQLRDRSA-N
> <FORMULA>
C80H116N20O25S3
> <MOLECULAR_WEIGHT>
1854.1
> <EXACT_MASS>
1852.758262837
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
244
> <JCHEM_AVERAGE_POLARIZABILITY>
189.27016407045485
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
24
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,4S,13S,16S,19R,22S,25S,28S,31S,37S,40R,41R,44R,47S,50S,53R,56R,65S,70S,71R)-44-amino-4,16-dibenzyl-22-[(2S)-butan-2-yl]-31-[(R)-carboxy(hydroxy)methyl]-37-[(1S)-1-hydroxyethyl]-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.3^{19,56}.3^{28,53}.0^{9,13}]triheptacontane-65-carboxylic acid
> <JCHEM_LOGP>
-14.341190138251289
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
3.497057481859501
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.784379788449642
> <JCHEM_PKA_STRONGEST_BASIC>
9.116028162359042
> <JCHEM_POLAR_SURFACE_AREA>
688.35
> <JCHEM_REFRACTIVITY>
454.3971000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
11
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,13S,16S,19R,22S,25S,28S,31S,37S,40R,41R,44R,47S,50S,53R,56R,65S,70S,71R)-44-amino-4,16-dibenzyl-22-[(2S)-butan-2-yl]-31-[(R)-carboxy(hydroxy)methyl]-37-[(1S)-1-hydroxyethyl]-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.3^{19,56}.3^{28,53}.0^{9,13}]triheptacontane-65-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0016653 (Mathermycin)
RDKit 3D
244250 0 0 0 0 0 0 0 0999 V2000
6.5375 -6.8793 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3481 -5.3656 1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 -5.0679 1.9497 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5189 -5.8007 3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9926 -5.6142 0.8837 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2272 -5.0977 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1237 -4.1436 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9369 -4.4988 -1.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2838 -2.7285 -0.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0467 -1.9530 -1.4202 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8760 -0.8629 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6104 0.2029 -1.8828 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0334 -0.7402 -0.3016 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0418 -1.8874 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5802 -1.9077 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7141 -1.1686 -2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2583 -1.1547 -3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6884 -1.8870 -4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5733 -2.6286 -4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0307 -2.6350 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7032 -0.5148 1.0839 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8902 0.7223 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1904 0.9319 2.7995 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8605 1.7494 1.3031 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2515 1.1255 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9223 1.8960 2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2940 3.2422 2.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8807 2.8973 2.1753 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7607 3.5673 2.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7969 3.8580 3.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5511 3.9679 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8562 5.0095 2.6731 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4510 5.1719 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9062 5.4914 3.8396 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5357 4.9957 1.5780 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8571 5.9211 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7846 7.3458 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 8.0098 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 9.3538 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6872 10.0105 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 9.3413 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 7.9977 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 5.1293 1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1283 4.1898 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 3.8557 2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 3.5135 0.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0421 4.4852 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 4.7965 0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4389 6.2145 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 6.3505 1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 5.3900 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9129 5.8047 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9069 4.6681 2.0343 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5331 4.7225 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7510 4.8324 3.6061 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6671 4.6420 4.4828 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 4.7538 0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9770 3.8895 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0960 4.3614 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9479 2.4181 1.0373 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8496 2.0740 2.0966 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1391 0.7796 2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3524 0.4798 2.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1691 -0.3213 2.7456 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3049 -0.7747 4.2031 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6724 -1.2700 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9586 0.2774 5.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8014 0.0467 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9198 -0.5810 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 0.0798 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9000 -2.0795 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8879 -2.6120 2.3374 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 -3.8096 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0693 -3.9350 2.8247 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5908 -4.9920 1.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2323 -6.1974 2.2058 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7446 -5.9123 3.4988 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0279 -7.3517 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8081 -7.8828 0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0699 -7.8945 2.5145 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 -4.9689 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -5.6529 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7249 -6.3450 -1.7518 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -5.7515 -0.6583 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1636 -4.5099 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 -3.3943 -1.3790 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0676 -1.7095 -1.0713 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5895 -1.8337 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.7884 -2.2524 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3585 -1.5294 -3.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 -1.1100 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.8741 -4.6587 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0824 0.0999 -5.2783 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1644 1.4026 -4.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9178 2.4002 -5.5147 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0540 0.0433 -6.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3035 0.6736 -6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 1.3602 -7.4387 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3558 0.6409 -5.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4509 -0.2559 -5.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8092 2.0095 -5.1906 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1203 2.4780 -5.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4257 3.4676 -5.9347 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 1.9729 -4.3688 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1536 1.1272 -5.1695 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8705 1.2844 -3.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6922 2.4396 -1.7172 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.3498 1.6675 -0.2339 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8545 1.5896 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 -0.2566 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 -0.5782 -3.5627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 0.5620 -1.5821 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5415 0.2904 -0.2054 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9722 0.8030 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1293 -0.4774 0.4643 S 0 0 0 0 0 0 0 0 0 0 0 0
3.9299 -2.0326 -0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3197 -1.9468 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 0.9936 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3931 0.3194 1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 2.2804 0.6613 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 -6.9842 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -7.6734 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -8.9557 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 -7.0784 -0.2051 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2276 -8.1398 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -6.4988 1.0563 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 -5.5542 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2758 -4.5049 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5979 -7.1654 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7975 -7.4457 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3893 -7.1448 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6970 -4.8939 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -5.0240 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7301 -4.0021 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 -5.9491 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 -6.7929 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 -5.1777 3.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -6.7179 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -5.5452 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8005 -2.6967 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 -2.2939 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 0.1666 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5642 -2.8656 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8989 -1.6913 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1966 -0.5776 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1506 -0.5606 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1355 -1.8625 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1131 -3.2155 -4.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1684 -3.2205 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2958 -1.2947 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6461 2.0254 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 0.0735 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7828 1.2786 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6387 1.4823 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0207 1.9774 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4236 3.7926 3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6871 3.8347 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8614 4.4496 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9225 3.1026 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4757 5.6896 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 3.9599 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1529 5.6963 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 5.6397 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6773 7.5084 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 9.9018 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6626 11.0682 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7931 9.7999 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 7.4630 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 5.9957 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 3.3780 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 5.4375 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 4.1594 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 4.3441 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 6.7177 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6862 6.7551 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 7.3627 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 6.0414 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 5.3906 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 4.3622 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6835 6.1761 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3997 6.6236 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3228 3.7215 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4434 5.4785 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7675 5.5334 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8969 2.1348 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3617 2.8560 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4787 -1.1426 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5228 -1.5697 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5663 -2.1207 5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3233 -0.4841 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1289 -1.7008 3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7717 0.6344 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 0.8218 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6972 -2.2700 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8695 -2.5002 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6465 -2.0255 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7466 -4.9791 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 -6.3688 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6704 -6.7035 4.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8246 -8.4152 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 -4.2282 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -5.7837 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4617 -4.6632 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -3.9360 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 -1.3540 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0891 -0.8742 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -2.5958 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -2.0705 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6546 0.0498 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -2.5241 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 0.1271 -5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 1.5416 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1379 1.6378 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2821 2.0585 -6.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 -0.5569 -7.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9993 0.2006 -4.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0564 -0.7143 -5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9777 0.2711 -6.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9131 -1.1091 -6.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0269 2.7242 -5.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9315 2.8266 -4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4119 1.7192 -5.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9922 0.9576 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 0.6719 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7111 0.5815 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9464 0.6290 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3489 1.9861 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2222 2.1386 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1864 0.5257 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 1.5218 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 -0.7930 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 1.3110 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 1.5568 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2719 -2.6813 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8958 -2.6538 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -2.3643 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 -0.9652 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 2.4197 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -7.4504 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 -6.3527 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 -7.8181 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 -8.4543 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 -9.0144 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -6.8311 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
13 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
35 43 1 0
43 44 1 0
44 45 2 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 2 0
54 56 1 0
53 57 1 0
57 58 1 0
58 59 2 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
65 67 1 0
64 68 1 0
68 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
78 79 2 0
78 80 1 0
75 81 1 0
81 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
87 89 1 0
89 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
93 96 1 0
96 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
99101 1 0
101102 1 0
102103 2 0
102104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 1 0
108109 1 0
89110 1 0
110111 2 0
110112 1 0
112113 1 0
113114 1 0
114115 1 0
115116 1 0
116117 1 0
113118 1 0
118119 2 0
118120 1 0
84121 1 0
121122 1 0
122123 2 0
122124 1 0
124125 1 0
124126 1 0
126127 1 0
127128 2 0
127 5 1 0
116 9 1 0
20 15 1 0
28 24 1 0
42 37 1 0
120 46 1 0
108 60 1 0
1129 1 0
1130 1 0
1131 1 0
2132 1 0
2133 1 0
3134 1 1
4135 1 0
4136 1 0
4137 1 0
5138 1 6
6139 1 0
9140 1 1
10141 1 0
13142 1 6
14143 1 0
14144 1 0
16145 1 0
17146 1 0
18147 1 0
19148 1 0
20149 1 0
21150 1 0
24151 1 6
25152 1 0
25153 1 0
26154 1 0
26155 1 0
27156 1 0
27157 1 0
31158 1 0
31159 1 0
32160 1 0
35161 1 6
36162 1 0
36163 1 0
38164 1 0
39165 1 0
40166 1 0
41167 1 0
42168 1 0
43169 1 0
46170 1 6
47171 1 0
47172 1 0
48173 1 0
49174 1 0
49175 1 0
50176 1 0
50177 1 0
51178 1 0
51179 1 0
52180 1 0
52181 1 0
53182 1 6
56183 1 0
57184 1 0
60185 1 1
61186 1 0
64187 1 6
65188 1 6
66189 1 0
66190 1 0
66191 1 0
67192 1 0
68193 1 0
71194 1 0
71195 1 0
72196 1 0
75197 1 6
76198 1 1
77199 1 0
80200 1 0
81201 1 0
84202 1 6
85203 1 0
85204 1 0
87205 1 1
88206 1 0
88207 1 0
88208 1 0
89209 1 1
90210 1 0
93211 1 6
94212 1 0
94213 1 0
95214 1 0
96215 1 0
99216 1 1
100217 1 0
100218 1 0
100219 1 0
101220 1 0
104221 1 1
105222 1 0
105223 1 0
106224 1 0
106225 1 0
108226 1 1
109227 1 0
109228 1 0
109229 1 0
112230 1 0
113231 1 1
114232 1 0
114233 1 0
116234 1 1
117235 1 0
117236 1 0
117237 1 0
120238 1 0
121239 1 0
124240 1 6
125241 1 0
125242 1 0
125243 1 0
126244 1 0
M END
PDB for NP0016653 (Mathermycin)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 6.537 -6.879 1.550 0.00 0.00 C+0 HETATM 2 C UNK 0 6.348 -5.366 1.705 0.00 0.00 C+0 HETATM 3 C UNK 0 4.912 -5.068 1.950 0.00 0.00 C+0 HETATM 4 C UNK 0 4.519 -5.801 3.241 0.00 0.00 C+0 HETATM 5 C UNK 0 3.993 -5.614 0.884 0.00 0.00 C+0 HETATM 6 N UNK 0 4.227 -5.098 -0.439 0.00 0.00 N+0 HETATM 7 C UNK 0 5.124 -4.144 -0.902 0.00 0.00 C+0 HETATM 8 O UNK 0 5.937 -4.499 -1.838 0.00 0.00 O+0 HETATM 9 C UNK 0 5.284 -2.728 -0.461 0.00 0.00 C+0 HETATM 10 N UNK 0 6.047 -1.953 -1.420 0.00 0.00 N+0 HETATM 11 C UNK 0 6.876 -0.863 -1.204 0.00 0.00 C+0 HETATM 12 O UNK 0 6.610 0.203 -1.883 0.00 0.00 O+0 HETATM 13 C UNK 0 8.033 -0.740 -0.302 0.00 0.00 C+0 HETATM 14 C UNK 0 9.042 -1.887 -0.475 0.00 0.00 C+0 HETATM 15 C UNK 0 9.580 -1.908 -1.863 0.00 0.00 C+0 HETATM 16 C UNK 0 10.714 -1.169 -2.202 0.00 0.00 C+0 HETATM 17 C UNK 0 11.258 -1.155 -3.467 0.00 0.00 C+0 HETATM 18 C UNK 0 10.688 -1.887 -4.466 0.00 0.00 C+0 HETATM 19 C UNK 0 9.573 -2.629 -4.181 0.00 0.00 C+0 HETATM 20 C UNK 0 9.031 -2.635 -2.895 0.00 0.00 C+0 HETATM 21 N UNK 0 7.703 -0.515 1.084 0.00 0.00 N+0 HETATM 22 C UNK 0 7.890 0.722 1.764 0.00 0.00 C+0 HETATM 23 O UNK 0 7.190 0.932 2.800 0.00 0.00 O+0 HETATM 24 C UNK 0 8.861 1.749 1.303 0.00 0.00 C+0 HETATM 25 C UNK 0 10.252 1.125 1.443 0.00 0.00 C+0 HETATM 26 C UNK 0 10.922 1.896 2.559 0.00 0.00 C+0 HETATM 27 C UNK 0 10.294 3.242 2.423 0.00 0.00 C+0 HETATM 28 N UNK 0 8.881 2.897 2.175 0.00 0.00 N+0 HETATM 29 C UNK 0 7.761 3.567 2.691 0.00 0.00 C+0 HETATM 30 O UNK 0 7.797 3.858 3.938 0.00 0.00 O+0 HETATM 31 C UNK 0 6.551 3.968 1.942 0.00 0.00 C+0 HETATM 32 N UNK 0 5.856 5.010 2.673 0.00 0.00 N+0 HETATM 33 C UNK 0 4.451 5.172 2.732 0.00 0.00 C+0 HETATM 34 O UNK 0 3.906 5.491 3.840 0.00 0.00 O+0 HETATM 35 C UNK 0 3.536 4.996 1.578 0.00 0.00 C+0 HETATM 36 C UNK 0 3.857 5.921 0.431 0.00 0.00 C+0 HETATM 37 C UNK 0 3.785 7.346 0.753 0.00 0.00 C+0 HETATM 38 C UNK 0 2.585 8.010 0.588 0.00 0.00 C+0 HETATM 39 C UNK 0 2.548 9.354 0.894 0.00 0.00 C+0 HETATM 40 C UNK 0 3.687 10.011 1.352 0.00 0.00 C+0 HETATM 41 C UNK 0 4.882 9.341 1.514 0.00 0.00 C+0 HETATM 42 C UNK 0 4.914 7.998 1.207 0.00 0.00 C+0 HETATM 43 N UNK 0 2.159 5.129 1.995 0.00 0.00 N+0 HETATM 44 C UNK 0 1.128 4.190 1.766 0.00 0.00 C+0 HETATM 45 O UNK 0 0.321 3.856 2.704 0.00 0.00 O+0 HETATM 46 C UNK 0 0.883 3.514 0.450 0.00 0.00 C+0 HETATM 47 C UNK 0 0.042 4.485 -0.352 0.00 0.00 C+0 HETATM 48 N UNK 0 -1.215 4.797 0.249 0.00 0.00 N+0 HETATM 49 C UNK 0 -1.439 6.215 0.441 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.517 6.351 1.511 0.00 0.00 C+0 HETATM 51 C UNK 0 -3.663 5.390 1.215 0.00 0.00 C+0 HETATM 52 C UNK 0 -4.913 5.805 1.965 0.00 0.00 C+0 HETATM 53 C UNK 0 -5.907 4.668 2.034 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.533 4.723 3.382 0.00 0.00 C+0 HETATM 55 O UNK 0 -7.751 4.832 3.606 0.00 0.00 O+0 HETATM 56 O UNK 0 -5.667 4.642 4.483 0.00 0.00 O+0 HETATM 57 N UNK 0 -6.877 4.754 0.980 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.977 3.890 0.797 0.00 0.00 C+0 HETATM 59 O UNK 0 -9.096 4.361 0.397 0.00 0.00 O+0 HETATM 60 C UNK 0 -7.948 2.418 1.037 0.00 0.00 C+0 HETATM 61 N UNK 0 -8.850 2.074 2.097 0.00 0.00 N+0 HETATM 62 C UNK 0 -9.139 0.780 2.545 0.00 0.00 C+0 HETATM 63 O UNK 0 -10.352 0.480 2.820 0.00 0.00 O+0 HETATM 64 C UNK 0 -8.169 -0.321 2.746 0.00 0.00 C+0 HETATM 65 C UNK 0 -8.305 -0.775 4.203 0.00 0.00 C+0 HETATM 66 C UNK 0 -9.672 -1.270 4.538 0.00 0.00 C+0 HETATM 67 O UNK 0 -7.959 0.277 5.015 0.00 0.00 O+0 HETATM 68 N UNK 0 -6.801 0.047 2.569 0.00 0.00 N+0 HETATM 69 C UNK 0 -5.920 -0.581 1.651 0.00 0.00 C+0 HETATM 70 O UNK 0 -5.112 0.080 0.952 0.00 0.00 O+0 HETATM 71 C UNK 0 -5.900 -2.079 1.462 0.00 0.00 C+0 HETATM 72 N UNK 0 -4.888 -2.612 2.337 0.00 0.00 N+0 HETATM 73 C UNK 0 -4.181 -3.810 2.202 0.00 0.00 C+0 HETATM 74 O UNK 0 -3.069 -3.935 2.825 0.00 0.00 O+0 HETATM 75 C UNK 0 -4.591 -4.992 1.390 0.00 0.00 C+0 HETATM 76 C UNK 0 -4.232 -6.197 2.206 0.00 0.00 C+0 HETATM 77 O UNK 0 -4.745 -5.912 3.499 0.00 0.00 O+0 HETATM 78 C UNK 0 -5.028 -7.352 1.733 0.00 0.00 C+0 HETATM 79 O UNK 0 -4.808 -7.883 0.635 0.00 0.00 O+0 HETATM 80 O UNK 0 -6.070 -7.894 2.515 0.00 0.00 O+0 HETATM 81 N UNK 0 -4.189 -4.969 0.025 0.00 0.00 N+0 HETATM 82 C UNK 0 -3.271 -5.653 -0.752 0.00 0.00 C+0 HETATM 83 O UNK 0 -3.725 -6.345 -1.752 0.00 0.00 O+0 HETATM 84 C UNK 0 -1.785 -5.752 -0.658 0.00 0.00 C+0 HETATM 85 C UNK 0 -1.164 -4.510 -0.076 0.00 0.00 C+0 HETATM 86 S UNK 0 -0.496 -3.394 -1.379 0.00 0.00 S+0 HETATM 87 C UNK 0 -1.068 -1.710 -1.071 0.00 0.00 C+0 HETATM 88 C UNK 0 -2.590 -1.834 -0.854 0.00 0.00 C+0 HETATM 89 C UNK 0 -0.920 -0.788 -2.252 0.00 0.00 C+0 HETATM 90 N UNK 0 -1.359 -1.529 -3.411 0.00 0.00 N+0 HETATM 91 C UNK 0 -2.227 -1.110 -4.439 0.00 0.00 C+0 HETATM 92 O UNK 0 -3.248 -1.874 -4.659 0.00 0.00 O+0 HETATM 93 C UNK 0 -2.082 0.100 -5.278 0.00 0.00 C+0 HETATM 94 C UNK 0 -2.164 1.403 -4.527 0.00 0.00 C+0 HETATM 95 O UNK 0 -1.918 2.400 -5.515 0.00 0.00 O+0 HETATM 96 N UNK 0 -3.054 0.043 -6.357 0.00 0.00 N+0 HETATM 97 C UNK 0 -4.303 0.674 -6.402 0.00 0.00 C+0 HETATM 98 O UNK 0 -4.613 1.360 -7.439 0.00 0.00 O+0 HETATM 99 C UNK 0 -5.356 0.641 -5.353 0.00 0.00 C+0 HETATM 100 C UNK 0 -6.451 -0.256 -5.907 0.00 0.00 C+0 HETATM 101 N UNK 0 -5.809 2.010 -5.191 0.00 0.00 N+0 HETATM 102 C UNK 0 -7.120 2.478 -5.174 0.00 0.00 C+0 HETATM 103 O UNK 0 -7.426 3.468 -5.935 0.00 0.00 O+0 HETATM 104 C UNK 0 -8.256 1.973 -4.369 0.00 0.00 C+0 HETATM 105 N UNK 0 -9.154 1.127 -5.170 0.00 0.00 N+0 HETATM 106 C UNK 0 -7.870 1.284 -3.103 0.00 0.00 C+0 HETATM 107 S UNK 0 -7.692 2.440 -1.717 0.00 0.00 S+0 HETATM 108 C UNK 0 -8.350 1.668 -0.234 0.00 0.00 C+0 HETATM 109 C UNK 0 -9.854 1.590 -0.378 0.00 0.00 C+0 HETATM 110 C UNK 0 0.442 -0.257 -2.458 0.00 0.00 C+0 HETATM 111 O UNK 0 1.017 -0.578 -3.563 0.00 0.00 O+0 HETATM 112 N UNK 0 1.178 0.562 -1.582 0.00 0.00 N+0 HETATM 113 C UNK 0 1.542 0.290 -0.205 0.00 0.00 C+0 HETATM 114 C UNK 0 2.972 0.803 0.033 0.00 0.00 C+0 HETATM 115 S UNK 0 4.129 -0.477 0.464 0.00 0.00 S+0 HETATM 116 C UNK 0 3.930 -2.033 -0.369 0.00 0.00 C+0 HETATM 117 C UNK 0 3.320 -1.947 -1.743 0.00 0.00 C+0 HETATM 118 C UNK 0 0.672 0.994 0.781 0.00 0.00 C+0 HETATM 119 O UNK 0 0.393 0.319 1.841 0.00 0.00 O+0 HETATM 120 N UNK 0 0.147 2.280 0.661 0.00 0.00 N+0 HETATM 121 N UNK 0 -1.362 -6.984 -0.063 0.00 0.00 N+0 HETATM 122 C UNK 0 -0.156 -7.673 -0.178 0.00 0.00 C+0 HETATM 123 O UNK 0 -0.205 -8.956 -0.269 0.00 0.00 O+0 HETATM 124 C UNK 0 1.196 -7.078 -0.205 0.00 0.00 C+0 HETATM 125 C UNK 0 2.228 -8.140 -0.531 0.00 0.00 C+0 HETATM 126 N UNK 0 1.567 -6.499 1.056 0.00 0.00 N+0 HETATM 127 C UNK 0 2.571 -5.554 1.314 0.00 0.00 C+0 HETATM 128 O UNK 0 2.276 -4.505 1.995 0.00 0.00 O+0 HETATM 129 H UNK 0 7.598 -7.165 1.775 0.00 0.00 H+0 HETATM 130 H UNK 0 5.798 -7.446 2.123 0.00 0.00 H+0 HETATM 131 H UNK 0 6.389 -7.145 0.466 0.00 0.00 H+0 HETATM 132 H UNK 0 6.697 -4.894 0.791 0.00 0.00 H+0 HETATM 133 H UNK 0 6.947 -5.024 2.595 0.00 0.00 H+0 HETATM 134 H UNK 0 4.730 -4.002 2.171 0.00 0.00 H+0 HETATM 135 H UNK 0 5.387 -5.949 3.911 0.00 0.00 H+0 HETATM 136 H UNK 0 4.089 -6.793 3.030 0.00 0.00 H+0 HETATM 137 H UNK 0 3.791 -5.178 3.840 0.00 0.00 H+0 HETATM 138 H UNK 0 4.315 -6.718 0.832 0.00 0.00 H+0 HETATM 139 H UNK 0 3.594 -5.545 -1.179 0.00 0.00 H+0 HETATM 140 H UNK 0 5.801 -2.697 0.493 0.00 0.00 H+0 HETATM 141 H UNK 0 5.929 -2.294 -2.429 0.00 0.00 H+0 HETATM 142 H UNK 0 8.668 0.167 -0.583 0.00 0.00 H+0 HETATM 143 H UNK 0 8.564 -2.866 -0.299 0.00 0.00 H+0 HETATM 144 H UNK 0 9.899 -1.691 0.195 0.00 0.00 H+0 HETATM 145 H UNK 0 11.197 -0.578 -1.445 0.00 0.00 H+0 HETATM 146 H UNK 0 12.151 -0.561 -3.699 0.00 0.00 H+0 HETATM 147 H UNK 0 11.136 -1.863 -5.461 0.00 0.00 H+0 HETATM 148 H UNK 0 9.113 -3.216 -4.978 0.00 0.00 H+0 HETATM 149 H UNK 0 8.168 -3.220 -2.704 0.00 0.00 H+0 HETATM 150 H UNK 0 7.296 -1.295 1.672 0.00 0.00 H+0 HETATM 151 H UNK 0 8.646 2.025 0.254 0.00 0.00 H+0 HETATM 152 H UNK 0 10.197 0.074 1.782 0.00 0.00 H+0 HETATM 153 H UNK 0 10.783 1.279 0.501 0.00 0.00 H+0 HETATM 154 H UNK 0 10.639 1.482 3.543 0.00 0.00 H+0 HETATM 155 H UNK 0 12.021 1.977 2.437 0.00 0.00 H+0 HETATM 156 H UNK 0 10.424 3.793 3.374 0.00 0.00 H+0 HETATM 157 H UNK 0 10.687 3.835 1.561 0.00 0.00 H+0 HETATM 158 H UNK 0 6.861 4.450 0.966 0.00 0.00 H+0 HETATM 159 H UNK 0 5.923 3.103 1.722 0.00 0.00 H+0 HETATM 160 H UNK 0 6.476 5.690 3.200 0.00 0.00 H+0 HETATM 161 H UNK 0 3.738 3.960 1.185 0.00 0.00 H+0 HETATM 162 H UNK 0 3.153 5.696 -0.379 0.00 0.00 H+0 HETATM 163 H UNK 0 4.865 5.640 0.066 0.00 0.00 H+0 HETATM 164 H UNK 0 1.677 7.508 0.229 0.00 0.00 H+0 HETATM 165 H UNK 0 1.629 9.902 0.777 0.00 0.00 H+0 HETATM 166 H UNK 0 3.663 11.068 1.593 0.00 0.00 H+0 HETATM 167 H UNK 0 5.793 9.800 1.866 0.00 0.00 H+0 HETATM 168 H UNK 0 5.854 7.463 1.331 0.00 0.00 H+0 HETATM 169 H UNK 0 1.903 5.996 2.515 0.00 0.00 H+0 HETATM 170 H UNK 0 1.814 3.378 -0.131 0.00 0.00 H+0 HETATM 171 H UNK 0 0.638 5.438 -0.391 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.082 4.159 -1.399 0.00 0.00 H+0 HETATM 173 H UNK 0 -1.377 4.344 1.174 0.00 0.00 H+0 HETATM 174 H UNK 0 -0.523 6.718 0.859 0.00 0.00 H+0 HETATM 175 H UNK 0 -1.686 6.755 -0.472 0.00 0.00 H+0 HETATM 176 H UNK 0 -2.913 7.363 1.567 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.096 6.041 2.498 0.00 0.00 H+0 HETATM 178 H UNK 0 -3.833 5.391 0.120 0.00 0.00 H+0 HETATM 179 H UNK 0 -3.386 4.362 1.545 0.00 0.00 H+0 HETATM 180 H UNK 0 -4.684 6.176 2.968 0.00 0.00 H+0 HETATM 181 H UNK 0 -5.400 6.624 1.368 0.00 0.00 H+0 HETATM 182 H UNK 0 -5.323 3.721 1.899 0.00 0.00 H+0 HETATM 183 H UNK 0 -5.443 5.479 5.032 0.00 0.00 H+0 HETATM 184 H UNK 0 -6.768 5.533 0.268 0.00 0.00 H+0 HETATM 185 H UNK 0 -6.897 2.135 1.221 0.00 0.00 H+0 HETATM 186 H UNK 0 -9.362 2.856 2.606 0.00 0.00 H+0 HETATM 187 H UNK 0 -8.479 -1.143 2.069 0.00 0.00 H+0 HETATM 188 H UNK 0 -7.523 -1.570 4.370 0.00 0.00 H+0 HETATM 189 H UNK 0 -9.566 -2.121 5.268 0.00 0.00 H+0 HETATM 190 H UNK 0 -10.323 -0.484 4.939 0.00 0.00 H+0 HETATM 191 H UNK 0 -10.129 -1.701 3.615 0.00 0.00 H+0 HETATM 192 H UNK 0 -8.772 0.634 5.467 0.00 0.00 H+0 HETATM 193 H UNK 0 -6.407 0.822 3.144 0.00 0.00 H+0 HETATM 194 H UNK 0 -5.697 -2.270 0.407 0.00 0.00 H+0 HETATM 195 H UNK 0 -6.870 -2.500 1.812 0.00 0.00 H+0 HETATM 196 H UNK 0 -4.646 -2.026 3.195 0.00 0.00 H+0 HETATM 197 H UNK 0 -5.747 -4.979 1.450 0.00 0.00 H+0 HETATM 198 H UNK 0 -3.166 -6.369 2.315 0.00 0.00 H+0 HETATM 199 H UNK 0 -4.670 -6.704 4.086 0.00 0.00 H+0 HETATM 200 H UNK 0 -6.825 -8.415 2.128 0.00 0.00 H+0 HETATM 201 H UNK 0 -4.768 -4.228 -0.532 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.347 -5.784 -1.717 0.00 0.00 H+0 HETATM 203 H UNK 0 -0.462 -4.663 0.735 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.014 -3.936 0.352 0.00 0.00 H+0 HETATM 205 H UNK 0 -0.682 -1.354 -0.127 0.00 0.00 H+0 HETATM 206 H UNK 0 -3.089 -0.874 -1.178 0.00 0.00 H+0 HETATM 207 H UNK 0 -2.981 -2.596 -1.557 0.00 0.00 H+0 HETATM 208 H UNK 0 -2.821 -2.071 0.187 0.00 0.00 H+0 HETATM 209 H UNK 0 -1.655 0.050 -2.034 0.00 0.00 H+0 HETATM 210 H UNK 0 -0.933 -2.524 -3.442 0.00 0.00 H+0 HETATM 211 H UNK 0 -1.050 0.127 -5.761 0.00 0.00 H+0 HETATM 212 H UNK 0 -1.320 1.542 -3.824 0.00 0.00 H+0 HETATM 213 H UNK 0 -3.138 1.638 -4.097 0.00 0.00 H+0 HETATM 214 H UNK 0 -1.282 2.059 -6.189 0.00 0.00 H+0 HETATM 215 H UNK 0 -2.740 -0.557 -7.185 0.00 0.00 H+0 HETATM 216 H UNK 0 -4.999 0.201 -4.395 0.00 0.00 H+0 HETATM 217 H UNK 0 -7.056 -0.714 -5.127 0.00 0.00 H+0 HETATM 218 H UNK 0 -6.978 0.271 -6.702 0.00 0.00 H+0 HETATM 219 H UNK 0 -5.913 -1.109 -6.419 0.00 0.00 H+0 HETATM 220 H UNK 0 -5.027 2.724 -5.074 0.00 0.00 H+0 HETATM 221 H UNK 0 -8.931 2.827 -4.051 0.00 0.00 H+0 HETATM 222 H UNK 0 -9.412 1.719 -5.999 0.00 0.00 H+0 HETATM 223 H UNK 0 -9.992 0.958 -4.575 0.00 0.00 H+0 HETATM 224 H UNK 0 -6.973 0.672 -3.137 0.00 0.00 H+0 HETATM 225 H UNK 0 -8.711 0.582 -2.855 0.00 0.00 H+0 HETATM 226 H UNK 0 -7.946 0.629 -0.088 0.00 0.00 H+0 HETATM 227 H UNK 0 -10.349 1.986 0.522 0.00 0.00 H+0 HETATM 228 H UNK 0 -10.222 2.139 -1.283 0.00 0.00 H+0 HETATM 229 H UNK 0 -10.186 0.526 -0.549 0.00 0.00 H+0 HETATM 230 H UNK 0 1.547 1.522 -1.906 0.00 0.00 H+0 HETATM 231 H UNK 0 1.622 -0.793 0.033 0.00 0.00 H+0 HETATM 232 H UNK 0 3.339 1.311 -0.895 0.00 0.00 H+0 HETATM 233 H UNK 0 2.990 1.557 0.843 0.00 0.00 H+0 HETATM 234 H UNK 0 3.272 -2.681 0.235 0.00 0.00 H+0 HETATM 235 H UNK 0 3.896 -2.654 -2.409 0.00 0.00 H+0 HETATM 236 H UNK 0 2.286 -2.364 -1.768 0.00 0.00 H+0 HETATM 237 H UNK 0 3.423 -0.965 -2.224 0.00 0.00 H+0 HETATM 238 H UNK 0 -0.910 2.420 0.732 0.00 0.00 H+0 HETATM 239 H UNK 0 -2.099 -7.450 0.562 0.00 0.00 H+0 HETATM 240 H UNK 0 1.213 -6.353 -1.042 0.00 0.00 H+0 HETATM 241 H UNK 0 2.933 -7.818 -1.294 0.00 0.00 H+0 HETATM 242 H UNK 0 2.739 -8.454 0.393 0.00 0.00 H+0 HETATM 243 H UNK 0 1.660 -9.014 -0.967 0.00 0.00 H+0 HETATM 244 H UNK 0 0.993 -6.831 1.896 0.00 0.00 H+0 CONECT 1 2 129 130 131 CONECT 2 1 3 132 133 CONECT 3 2 4 5 134 CONECT 4 3 135 136 137 CONECT 5 3 6 127 138 CONECT 6 5 7 139 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 116 140 CONECT 10 9 11 141 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 21 142 CONECT 14 13 15 143 144 CONECT 15 14 16 20 CONECT 16 15 17 145 CONECT 17 16 18 146 CONECT 18 17 19 147 CONECT 19 18 20 148 CONECT 20 19 15 149 CONECT 21 13 22 150 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 28 151 CONECT 25 24 26 152 153 CONECT 26 25 27 154 155 CONECT 27 26 28 156 157 CONECT 28 27 29 24 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 158 159 CONECT 32 31 33 160 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 43 161 CONECT 36 35 37 162 163 CONECT 37 36 38 42 CONECT 38 37 39 164 CONECT 39 38 40 165 CONECT 40 39 41 166 CONECT 41 40 42 167 CONECT 42 41 37 168 CONECT 43 35 44 169 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 120 170 CONECT 47 46 48 171 172 CONECT 48 47 49 173 CONECT 49 48 50 174 175 CONECT 50 49 51 176 177 CONECT 51 50 52 178 179 CONECT 52 51 53 180 181 CONECT 53 52 54 57 182 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 183 CONECT 57 53 58 184 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 61 108 185 CONECT 61 60 62 186 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 68 187 CONECT 65 64 66 67 188 CONECT 66 65 189 190 191 CONECT 67 65 192 CONECT 68 64 69 193 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 194 195 CONECT 72 71 73 196 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 81 197 CONECT 76 75 77 78 198 CONECT 77 76 199 CONECT 78 76 79 80 CONECT 79 78 CONECT 80 78 200 CONECT 81 75 82 201 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 121 202 CONECT 85 84 86 203 204 CONECT 86 85 87 CONECT 87 86 88 89 205 CONECT 88 87 206 207 208 CONECT 89 87 90 110 209 CONECT 90 89 91 210 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 94 96 211 CONECT 94 93 95 212 213 CONECT 95 94 214 CONECT 96 93 97 215 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 101 216 CONECT 100 99 217 218 219 CONECT 101 99 102 220 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 105 106 221 CONECT 105 104 222 223 CONECT 106 104 107 224 225 CONECT 107 106 108 CONECT 108 107 109 60 226 CONECT 109 108 227 228 229 CONECT 110 89 111 112 CONECT 111 110 CONECT 112 110 113 230 CONECT 113 112 114 118 231 CONECT 114 113 115 232 233 CONECT 115 114 116 CONECT 116 115 117 9 234 CONECT 117 116 235 236 237 CONECT 118 113 119 120 CONECT 119 118 CONECT 120 118 46 238 CONECT 121 84 122 239 CONECT 122 121 123 124 CONECT 123 122 CONECT 124 122 125 126 240 CONECT 125 124 241 242 243 CONECT 126 124 127 244 CONECT 127 126 128 5 CONECT 128 127 CONECT 129 1 CONECT 130 1 CONECT 131 1 CONECT 132 2 CONECT 133 2 CONECT 134 3 CONECT 135 4 CONECT 136 4 CONECT 137 4 CONECT 138 5 CONECT 139 6 CONECT 140 9 CONECT 141 10 CONECT 142 13 CONECT 143 14 CONECT 144 14 CONECT 145 16 CONECT 146 17 CONECT 147 18 CONECT 148 19 CONECT 149 20 CONECT 150 21 CONECT 151 24 CONECT 152 25 CONECT 153 25 CONECT 154 26 CONECT 155 26 CONECT 156 27 CONECT 157 27 CONECT 158 31 CONECT 159 31 CONECT 160 32 CONECT 161 35 CONECT 162 36 CONECT 163 36 CONECT 164 38 CONECT 165 39 CONECT 166 40 CONECT 167 41 CONECT 168 42 CONECT 169 43 CONECT 170 46 CONECT 171 47 CONECT 172 47 CONECT 173 48 CONECT 174 49 CONECT 175 49 CONECT 176 50 CONECT 177 50 CONECT 178 51 CONECT 179 51 CONECT 180 52 CONECT 181 52 CONECT 182 53 CONECT 183 56 CONECT 184 57 CONECT 185 60 CONECT 186 61 CONECT 187 64 CONECT 188 65 CONECT 189 66 CONECT 190 66 CONECT 191 66 CONECT 192 67 CONECT 193 68 CONECT 194 71 CONECT 195 71 CONECT 196 72 CONECT 197 75 CONECT 198 76 CONECT 199 77 CONECT 200 80 CONECT 201 81 CONECT 202 84 CONECT 203 85 CONECT 204 85 CONECT 205 87 CONECT 206 88 CONECT 207 88 CONECT 208 88 CONECT 209 89 CONECT 210 90 CONECT 211 93 CONECT 212 94 CONECT 213 94 CONECT 214 95 CONECT 215 96 CONECT 216 99 CONECT 217 100 CONECT 218 100 CONECT 219 100 CONECT 220 101 CONECT 221 104 CONECT 222 105 CONECT 223 105 CONECT 224 106 CONECT 225 106 CONECT 226 108 CONECT 227 109 CONECT 228 109 CONECT 229 109 CONECT 230 112 CONECT 231 113 CONECT 232 114 CONECT 233 114 CONECT 234 116 CONECT 235 117 CONECT 236 117 CONECT 237 117 CONECT 238 120 CONECT 239 121 CONECT 240 124 CONECT 241 125 CONECT 242 125 CONECT 243 125 CONECT 244 126 MASTER 0 0 0 0 0 0 0 0 244 0 500 0 END SMILES for NP0016653 (Mathermycin)[H]OC(=O)[C@]([H])(O[H])[C@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]4([H])N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]5([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])S[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C1=O)[C@@]([H])(O[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C5([H])[H])C([H])([H])[H])C([H])([H])O[H])[C@]([H])(SC2([H])[H])C([H])([H])[H])C([H])([H])S[C@@]3([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0016653 (Mathermycin)InChI=1S/C80H116N20O25S3/c1-9-36(2)56-74(117)86-38(4)64(107)92-52-35-128-41(7)58-77(120)93-51-34-127-42(8)60(78(121)95-56)96-67(110)48(28-44-21-14-11-15-22-44)89-72(115)53-24-18-26-100(53)55(104)31-84-66(109)47(27-43-19-12-10-13-20-43)88-68(111)49(90-70(51)113)29-82-25-17-16-23-46(79(122)123)87-76(119)59(40(6)126-33-45(81)65(108)85-37(3)63(106)91-50(32-101)69(112)97-58)98-75(118)57(39(5)102)94-54(103)30-83-73(116)61(99-71(52)114)62(105)80(124)125/h10-15,19-22,36-42,45-53,56-62,82,101-102,105H,9,16-18,23-35,81H2,1-8H3,(H,83,116)(H,84,109)(H,85,108)(H,86,117)(H,87,119)(H,88,111)(H,89,115)(H,90,113)(H,91,106)(H,92,107)(H,93,120)(H,94,103)(H,95,121)(H,96,110)(H,97,112)(H,98,118)(H,99,114)(H,122,123)(H,124,125)/t36-,37-,38-,39-,40+,41+,42-,45-,46-,47-,48-,49-,50-,51-,52+,53-,56-,57-,58-,59-,60-,61-,62+/m0/s1 3D Structure for NP0016653 (Mathermycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C80H116N20O25S3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1854.1000 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1852.75826 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,4S,13S,16S,19R,22S,25S,28S,31S,37S,40R,41R,44R,47S,50S,53R,56R,65S,70S,71R)-44-amino-4,16-dibenzyl-22-[(2S)-butan-2-yl]-31-[(R)-carboxy(hydroxy)methyl]-37-[(1S)-1-hydroxyethyl]-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.3^{19,56}.3^{28,53}.0^{9,13}]triheptacontane-65-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,4S,13S,16S,19R,22S,25S,28S,31S,37S,40R,41R,44R,47S,50S,53R,56R,65S,70S,71R)-44-amino-4,16-dibenzyl-22-[(2S)-butan-2-yl]-31-[(R)-carboxy(hydroxy)methyl]-37-[(1S)-1-hydroxyethyl]-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.3^{19,56}.3^{28,53}.0^{9,13}]triheptacontane-65-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)C4NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CS[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS[C@@H]4C)C(=O)N[C@@H](CSC2C)C(=O)N3)NC(=O)[C@H](C)NC1=O)[C@@H](O)C(O)=O)[C@H](C)O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C80H116N20O25S3/c1-9-36(2)56-74(117)86-38(4)64(107)92-52-35-128-41(7)58-77(120)93-51-34-127-42(8)60(78(121)95-56)96-67(110)48(28-44-21-14-11-15-22-44)89-72(115)53-24-18-26-100(53)55(104)31-84-66(109)47(27-43-19-12-10-13-20-43)88-68(111)49(90-70(51)113)29-82-25-17-16-23-46(79(122)123)87-76(119)59(40(6)126-33-45(81)65(108)85-37(3)63(106)91-50(32-101)69(112)97-58)98-75(118)57(39(5)102)94-54(103)30-83-73(116)61(99-71(52)114)62(105)80(124)125/h10-15,19-22,36-42,45-53,56-62,82,101-102,105H,9,16-18,23-35,81H2,1-8H3,(H,83,116)(H,84,109)(H,85,108)(H,86,117)(H,87,119)(H,88,111)(H,89,115)(H,90,113)(H,91,106)(H,92,107)(H,93,120)(H,94,103)(H,95,121)(H,96,110)(H,97,112)(H,98,118)(H,99,114)(H,122,123)(H,124,125)/t36-,37-,38-,39-,40+,41+,42?,45-,46-,47-,48-,49-,50-,51-,52+,53-,56-,57-,58-,59?,60-,61-,62+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DNVMJLMJKLCCOS-KSFQLRDRSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA028474 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146684609 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
