Showing NP-Card for Achromosin (NP0015710)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 00:54:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:20:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0015710 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Achromosin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Achromosin is found in Streptomyces achromogenes and Streptomyces achromogenes subsp. achromogenes. It was first documented in 2017 (PMID: 27599763). Based on a literature review very few articles have been published on Achromosin. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0015710 (Achromosin)
Mrv1652307042107113D
170175 0 0 0 0 999 V2000
-2.6675 -4.0643 -3.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 -3.0202 -3.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6542 -2.3954 -1.8594 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4856 -3.5038 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -1.2668 -1.6267 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8863 -0.6989 -0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 0.2394 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 0.4559 -0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 0.9608 1.4222 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1713 0.8032 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 1.3221 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 1.8737 0.2884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.3125 1.9828 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5080 2.0650 0.9856 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5606 1.5070 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8304 2.4274 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0143 2.7101 2.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8936 2.4538 0.5452 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2630 2.8158 0.8096 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2061 1.8188 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9389 0.6263 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2644 2.1827 -0.6113 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2919 1.4602 -1.2895 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1411 0.8519 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5962 0.5934 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5225 0.5953 -0.4140 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.2427 0.0273 0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2010 -0.9871 0.2405 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.4511 -0.7731 1.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
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-15.1195 1.0838 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8046 2.2868 1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6628 -0.6961 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8275 0.0117 -0.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
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-18.5435 -3.2693 2.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
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-16.3909 -3.4855 3.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9357 -2.4892 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7035 -1.8737 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8277 0.5019 -2.3093 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.9888 -0.6551 -1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9421 -0.0517 -3.2122 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6444 1.0351 -3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5503 4.2462 0.4559 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8049 4.7582 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3957 4.5415 -0.8766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -1.4938 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 -2.0400 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -0.8988 -3.2582 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 -1.0514 -3.8556 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6015 -0.8305 -3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 -1.0688 -4.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1090 -0.4538 -2.0524 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5706 -0.4328 -1.9325 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8686 -1.9655 -1.6780 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2229 -2.1794 -1.5504 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1197 0.2537 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 0.8578 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4963 0.2407 -0.5173 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0441 0.9314 0.7237 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7952 -0.0653 1.7914 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0460 -0.0027 3.1997 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3443 0.0479 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6414 -0.8935 4.9477 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2932 0.7986 3.6078 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4027 1.2748 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8685 0.7274 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3071 2.1304 0.9954 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6675 2.3277 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3714 1.0645 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7256 0.0471 1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7613 0.8978 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0
14.3946 -0.3818 0.8277 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5395 -0.6341 -0.0826 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4288 -1.5532 0.7580 C 0 0 1 0 0 0 0 0 0 0 0 0
15.9816 -1.4124 2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0359 -0.3979 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7446 0.3619 3.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2890 -2.9276 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2324 -3.6049 0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
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18.4843 -2.3233 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
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20.5910 -1.1728 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
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18.5968 -0.1090 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8667 -1.2276 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2415 3.5594 1.0095 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5042 4.0581 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3680 3.4279 2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 -5.0497 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5290 -3.7862 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5859 -2.3520 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 -3.6078 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6998 -4.2173 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 -4.0265 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2831 -3.0601 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 -0.3867 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.9312 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 0.6124 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 2.0640 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 0.3519 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 1.8376 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9892 0.2571 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9874 3.1107 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6146 2.1075 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6529 0.4964 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6582 2.1835 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3618 2.7839 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3013 3.2854 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.5717 -0.3905 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
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-15.4699 -0.8581 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6310 -1.6973 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5643 -3.5951 2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0951 -4.6244 4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7517 -3.9504 4.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8936 -2.1869 2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2122 1.1250 -3.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9196 -0.3629 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0623 -1.4202 -2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2695 -1.1301 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4491 -0.7796 -3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6485 -0.6541 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6216 1.3240 -3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7900 0.6828 -5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9509 1.9136 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7002 4.8256 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4567 3.9508 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3939 5.3562 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5441 5.4568 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4307 5.4956 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3064 -0.3196 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -0.5870 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.5380 -0.2054 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0004 -0.1828 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.4609 -3.0380 -2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 -0.1911 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3692 1.7845 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6567 -0.3212 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2280 -1.1011 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4421 0.8898 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4594 -0.8564 3.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9886 -0.4955 5.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5129 -1.9069 4.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0602 2.6588 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5469 2.4422 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3737 1.6533 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5937 -1.1483 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1038 0.2974 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
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17.7930 -4.3251 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4067 -3.1357 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6699 -1.1150 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5745 0.8052 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1164 0.7646 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4309 4.3517 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5880 3.6990 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4271 5.1715 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3910 3.8401 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6797 4.2750 2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
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41 29 1 0 0 0 0
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92170 1 0 0 0 0
M END
3D MOL for NP0015710 (Achromosin)
RDKit 3D
170175 0 0 0 0 0 0 0 0999 V2000
-2.6675 -4.0643 -3.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 -3.0202 -3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6542 -2.3954 -1.8594 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4856 -3.5038 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -1.2668 -1.6267 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8863 -0.6989 -0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 0.2394 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 0.4559 -0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 0.9608 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1713 0.8032 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 1.3221 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 1.8737 0.2884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.3125 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5080 2.0650 0.9856 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5606 1.5070 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8304 2.4274 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0143 2.7101 2.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8936 2.4538 0.5452 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2630 2.8158 0.8096 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2061 1.8188 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9389 0.6263 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2644 2.1827 -0.6113 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2919 1.4602 -1.2895 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1411 0.8519 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5962 0.5934 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5225 0.5953 -0.4140 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.2427 0.0273 0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2010 -0.9871 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.4511 -0.7731 1.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.2557 0.4524 1.7156 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.1195 1.0838 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8046 2.2868 1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6628 -0.6961 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
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-16.7035 -1.8737 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8277 0.5019 -2.3093 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.9888 -0.6551 -1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9421 -0.0517 -3.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6444 1.0351 -3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5503 4.2462 0.4559 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8049 4.7582 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3957 4.5415 -0.8766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -1.4938 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 -2.0400 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -0.8988 -3.2582 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 -1.0514 -3.8556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 -0.8305 -3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 -1.0688 -4.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1090 -0.4538 -2.0524 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5706 -0.4328 -1.9325 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8686 -1.9655 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2229 -2.1794 -1.5504 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1197 0.2537 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 0.8578 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4963 0.2407 -0.5173 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0441 0.9314 0.7237 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7952 -0.0653 1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0460 -0.0027 3.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3443 0.0479 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6414 -0.8935 4.9477 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2932 0.7986 3.6078 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4027 1.2748 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8685 0.7274 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3071 2.1304 0.9954 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6675 2.3277 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3714 1.0645 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7256 0.0471 1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7613 0.8978 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0
14.3946 -0.3818 0.8277 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5395 -0.6341 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4288 -1.5532 0.7580 C 0 0 1 0 0 0 0 0 0 0 0 0
15.9816 -1.4124 2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0359 -0.3979 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7446 0.3619 3.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2890 -2.9276 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2324 -3.6049 0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5562 -3.3836 -0.1301 N 0 0 0 0 0 0 0 0 0 0 0 0
18.4843 -2.3233 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8538 -2.2992 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5910 -1.1728 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9765 -0.0661 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5968 -0.1090 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8667 -1.2276 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2415 3.5594 1.0095 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5042 4.0581 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3680 3.4279 2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6390 -0.9312 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 0.6124 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 2.0640 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 0.3519 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 1.8376 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9892 0.2571 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9874 3.1107 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.6529 0.4964 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6582 2.1835 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3618 2.7839 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3013 3.2854 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9292 2.2164 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9788 0.8007 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5717 -0.3905 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8131 -2.0312 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4699 -0.8581 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6310 -1.6973 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5643 -3.5951 2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0951 -4.6244 4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7517 -3.9504 4.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.9196 -0.3629 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.4491 -0.7796 -3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6485 -0.6541 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6216 1.3240 -3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7900 0.6828 -5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9509 1.9136 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7002 4.8256 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4567 3.9508 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3939 5.3562 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5441 5.4568 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4307 5.4956 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3064 -0.3196 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -0.5870 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 -2.1803 -4.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5380 -0.2054 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0004 -0.1828 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3846 -2.1490 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3810 -2.5192 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4609 -3.0380 -2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 -0.1911 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3692 1.7845 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6567 -0.3212 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2280 -1.1011 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4421 0.8898 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4594 -0.8564 3.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9886 -0.4955 5.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5129 -1.9069 4.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0602 2.6588 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5469 2.4422 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3737 1.6533 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5937 -1.1483 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1038 0.2974 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1968 -1.1119 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7930 -4.3251 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4067 -3.1357 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6699 -1.1150 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5745 0.8052 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1164 0.7646 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4309 4.3517 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5880 3.6990 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4271 5.1715 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3910 3.8401 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6797 4.2750 2.8075 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
14 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 1
30 31 1 0
31 32 2 0
29 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 2 0
37 38 1 0
38 39 2 0
39 40 1 0
40 41 2 0
23 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
19 46 1 0
46 47 1 0
46 48 1 0
5 49 1 0
49 50 2 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
56 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
65 67 2 0
62 68 1 0
68 69 2 0
68 70 1 0
70 71 1 0
71 72 1 0
72 73 2 0
72 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 1 1
78 79 1 0
79 80 2 0
77 81 1 0
81 82 2 0
81 83 1 0
83 84 1 0
84 85 2 0
85 86 1 0
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87 88 1 0
88 89 2 0
71 90 1 0
90 91 1 0
90 92 1 0
31 27 1 0
41 36 1 0
79 75 1 0
89 84 1 0
41 29 1 0
89 77 1 0
1 93 1 0
1 94 1 0
1 95 1 0
2 96 1 0
2 97 1 0
3 98 1 6
4 99 1 0
4100 1 0
4101 1 0
5102 1 6
6103 1 0
9104 1 0
9105 1 0
10106 1 0
13107 1 0
13108 1 0
14109 1 6
15110 1 0
15111 1 0
18112 1 0
19113 1 1
22114 1 0
23115 1 6
26116 1 0
27117 1 1
28118 1 0
28119 1 0
35120 1 0
37121 1 0
38122 1 0
39123 1 0
40124 1 0
42125 1 6
43126 1 0
43127 1 0
43128 1 0
44129 1 0
44130 1 0
45131 1 0
45132 1 0
45133 1 0
46134 1 1
47135 1 0
47136 1 0
47137 1 0
48138 1 0
51139 1 0
52140 1 0
52141 1 0
55142 1 0
56143 1 6
57144 1 0
57145 1 0
58146 1 0
61147 1 0
62148 1 1
63149 1 0
63150 1 0
64151 1 0
64152 1 0
66153 1 0
66154 1 0
70155 1 0
71156 1 6
74157 1 0
75158 1 1
76159 1 0
76160 1 0
83161 1 0
85162 1 0
86163 1 0
87164 1 0
88165 1 0
90166 1 1
91167 1 0
91168 1 0
91169 1 0
92170 1 0
M END
3D SDF for NP0015710 (Achromosin)
Mrv1652307042107113D
170175 0 0 0 0 999 V2000
-2.6675 -4.0643 -3.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 -3.0202 -3.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6542 -2.3954 -1.8594 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4856 -3.5038 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -1.2668 -1.6267 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8863 -0.6989 -0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 0.2394 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 0.4559 -0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 0.9608 1.4222 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1713 0.8032 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 1.3221 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 1.8737 0.2884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.3125 1.9828 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5080 2.0650 0.9856 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5606 1.5070 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8304 2.4274 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0143 2.7101 2.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8936 2.4538 0.5452 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2630 2.8158 0.8096 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2061 1.8188 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9389 0.6263 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2644 2.1827 -0.6113 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2919 1.4602 -1.2895 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1411 0.8519 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5962 0.5934 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5225 0.5953 -0.4140 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.2427 0.0273 0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2010 -0.9871 0.2405 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.4511 -0.7731 1.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.2557 0.4524 1.7156 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.1195 1.0838 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8046 2.2868 1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6628 -0.6961 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8275 0.0117 -0.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.6190 -1.5635 0.7463 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.0091 -2.2687 1.8166 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5435 -3.2693 2.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.7140 -3.8546 3.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.3909 -3.4855 3.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9357 -2.4892 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7035 -1.8737 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8277 0.5019 -2.3093 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.9888 -0.6551 -1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9421 -0.0517 -3.2122 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6444 1.0351 -3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5503 4.2462 0.4559 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8049 4.7582 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3957 4.5415 -0.8766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -1.4938 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 -2.0400 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -0.8988 -3.2582 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 -1.0514 -3.8556 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6015 -0.8305 -3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 -1.0688 -4.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1090 -0.4538 -2.0524 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5706 -0.4328 -1.9325 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8686 -1.9655 -1.6780 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2229 -2.1794 -1.5504 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1197 0.2537 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 0.8578 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4963 0.2407 -0.5173 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0441 0.9314 0.7237 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7952 -0.0653 1.7914 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0460 -0.0027 3.1997 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3443 0.0479 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6414 -0.8935 4.9477 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2932 0.7986 3.6078 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4027 1.2748 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8685 0.7274 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3071 2.1304 0.9954 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6675 2.3277 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3714 1.0645 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7256 0.0471 1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7613 0.8978 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0
14.3946 -0.3818 0.8277 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5395 -0.6341 -0.0826 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4288 -1.5532 0.7580 C 0 0 1 0 0 0 0 0 0 0 0 0
15.9816 -1.4124 2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0359 -0.3979 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7446 0.3619 3.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2890 -2.9276 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2324 -3.6049 0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5562 -3.3836 -0.1301 N 0 0 0 0 0 0 0 0 0 0 0 0
18.4843 -2.3233 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8538 -2.2992 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5910 -1.1728 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9765 -0.0661 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5968 -0.1090 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8667 -1.2276 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2415 3.5594 1.0095 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5042 4.0581 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3680 3.4279 2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 -5.0497 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0753 -4.1059 -4.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5290 -3.7862 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5859 -2.3520 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 -3.6078 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 -2.0178 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -4.2173 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 -4.0265 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2831 -3.0601 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 -0.3867 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.9312 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 0.6124 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 2.0640 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 0.3519 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 1.8376 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9892 0.2571 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9874 3.1107 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6146 2.1075 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6529 0.4964 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6582 2.1835 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3618 2.7839 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3013 3.2854 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9292 2.2164 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9788 0.8007 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5717 -0.3905 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8131 -2.0312 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4699 -0.8581 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6310 -1.6973 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.5643 -3.5951 2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0951 -4.6244 4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7517 -3.9504 4.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8936 -2.1869 2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2122 1.1250 -3.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9196 -0.3629 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0623 -1.4202 -2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2695 -1.1301 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4491 -0.7796 -3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6485 -0.6541 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6216 1.3240 -3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7900 0.6828 -5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9509 1.9136 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7002 4.8256 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4567 3.9508 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3939 5.3562 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5441 5.4568 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4307 5.4956 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3064 -0.3196 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -0.5870 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 -2.1803 -4.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5380 -0.2054 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0004 -0.1828 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3846 -2.1490 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3810 -2.5192 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4609 -3.0380 -2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 -0.1911 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3692 1.7845 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6567 -0.3212 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2280 -1.1011 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4421 0.8898 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4594 -0.8564 3.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9886 -0.4955 5.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5129 -1.9069 4.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0602 2.6588 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5469 2.4422 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3737 1.6533 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5937 -1.1483 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1038 0.2974 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1968 -1.1119 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7930 -4.3251 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4067 -3.1357 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6699 -1.1150 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5745 0.8052 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1164 0.7646 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4309 4.3517 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5880 3.6990 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4271 5.1715 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3910 3.8401 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6797 4.2750 2.8075 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
14 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
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26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
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33 34 2 0 0 0 0
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35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
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42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
19 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
5 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
56 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
62 68 1 0 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 1 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
77 81 1 0 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
71 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 1 0 0 0 0
31 27 1 0 0 0 0
41 36 1 0 0 0 0
79 75 1 0 0 0 0
89 84 1 0 0 0 0
41 29 1 0 0 0 0
89 77 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
2 96 1 0 0 0 0
2 97 1 0 0 0 0
3 98 1 6 0 0 0
4 99 1 0 0 0 0
4100 1 0 0 0 0
4101 1 0 0 0 0
5102 1 6 0 0 0
6103 1 0 0 0 0
9104 1 0 0 0 0
9105 1 0 0 0 0
10106 1 0 0 0 0
13107 1 0 0 0 0
13108 1 0 0 0 0
14109 1 6 0 0 0
15110 1 0 0 0 0
15111 1 0 0 0 0
18112 1 0 0 0 0
19113 1 1 0 0 0
22114 1 0 0 0 0
23115 1 6 0 0 0
26116 1 0 0 0 0
27117 1 1 0 0 0
28118 1 0 0 0 0
28119 1 0 0 0 0
35120 1 0 0 0 0
37121 1 0 0 0 0
38122 1 0 0 0 0
39123 1 0 0 0 0
40124 1 0 0 0 0
42125 1 6 0 0 0
43126 1 0 0 0 0
43127 1 0 0 0 0
43128 1 0 0 0 0
44129 1 0 0 0 0
44130 1 0 0 0 0
45131 1 0 0 0 0
45132 1 0 0 0 0
45133 1 0 0 0 0
46134 1 1 0 0 0
47135 1 0 0 0 0
47136 1 0 0 0 0
47137 1 0 0 0 0
48138 1 0 0 0 0
51139 1 0 0 0 0
52140 1 0 0 0 0
52141 1 0 0 0 0
55142 1 0 0 0 0
56143 1 6 0 0 0
57144 1 0 0 0 0
57145 1 0 0 0 0
58146 1 0 0 0 0
61147 1 0 0 0 0
62148 1 1 0 0 0
63149 1 0 0 0 0
63150 1 0 0 0 0
64151 1 0 0 0 0
64152 1 0 0 0 0
66153 1 0 0 0 0
66154 1 0 0 0 0
70155 1 0 0 0 0
71156 1 6 0 0 0
74157 1 0 0 0 0
75158 1 1 0 0 0
76159 1 0 0 0 0
76160 1 0 0 0 0
83161 1 0 0 0 0
85162 1 0 0 0 0
86163 1 0 0 0 0
87164 1 0 0 0 0
88165 1 0 0 0 0
90166 1 1 0 0 0
91167 1 0 0 0 0
91168 1 0 0 0 0
91169 1 0 0 0 0
92170 1 0 0 0 0
M END
> <DATABASE_ID>
NP0015710
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])[C@@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]1([H])C(=O)O[C@@]2(C(=O)N([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)O[C@@]2(C(=O)N([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C58H78N14O20/c1-7-25(3)42(69-41(79)22-61-39(77)19-31(59)46(80)71-45(28(6)75)52(86)70-43(26(4)8-2)50(84)65-35-20-57(91-53(35)87)29-13-9-11-15-32(29)67-55(57)89)49(83)62-23-40(78)63-37(24-73)48(82)64-34(17-18-38(60)76)47(81)72-44(27(5)74)51(85)66-36-21-58(92-54(36)88)30-14-10-12-16-33(30)68-56(58)90/h9-16,25-28,31,34-37,42-45,73-75H,7-8,17-24,59H2,1-6H3,(H2,60,76)(H,61,77)(H,62,83)(H,63,78)(H,64,82)(H,65,84)(H,66,85)(H,67,89)(H,68,90)(H,69,79)(H,70,86)(H,71,80)(H,72,81)/t25-,26+,27+,28+,31-,34+,35-,36+,37-,42-,43+,44+,45+,57+,58+/m1/s1
> <INCHI_KEY>
UPDWXHZCLUCKNY-UHFFFAOYSA-N
> <FORMULA>
C58H78N14O20
> <MOLECULAR_WEIGHT>
1291.34
> <EXACT_MASS>
1290.551680968
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
170
> <JCHEM_AVERAGE_POLARIZABILITY>
133.10609789187603
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
17
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-[(2R)-2-{2-[(2R,3R)-2-{2-[(3R)-3-amino-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(3S,4'R)-2,5'-dioxo-1,2-dihydrospiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanamido]acetamido}-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-N-[(1S,2S)-1-{[(3S,4'S)-2,5'-dioxo-1,2-dihydrospiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-hydroxypropyl]pentanediamide
> <ALOGPS_LOGP>
0.01
> <JCHEM_LOGP>
-7.268891832666668
> <ALOGPS_LOGS>
-4.31
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
11.409471774090255
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.022637258419369
> <JCHEM_PKA_STRONGEST_BASIC>
7.04544180946874
> <JCHEM_POLAR_SURFACE_AREA>
531.5999999999998
> <JCHEM_REFRACTIVITY>
314.88020000000023
> <JCHEM_ROTATABLE_BOND_COUNT>
31
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
6.30e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2R)-2-{2-[(2R,3R)-2-{2-[(3R)-3-amino-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(3S,4'R)-2,5'-dioxo-1H-spiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanamido]acetamido}-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-N-[(1S,2S)-1-{[(3S,4'S)-2,5'-dioxo-1H-spiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-hydroxypropyl]pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0015710 (Achromosin)
RDKit 3D
170175 0 0 0 0 0 0 0 0999 V2000
-2.6675 -4.0643 -3.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 -3.0202 -3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6542 -2.3954 -1.8594 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4856 -3.5038 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -1.2668 -1.6267 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8863 -0.6989 -0.2697 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 0.2394 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 0.4559 -0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1209 0.9608 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1713 0.8032 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 1.3221 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 1.8737 0.2884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6566 1.3125 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5080 2.0650 0.9856 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5606 1.5070 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8304 2.4274 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0143 2.7101 2.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8936 2.4538 0.5452 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2630 2.8158 0.8096 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2061 1.8188 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9389 0.6263 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2644 2.1827 -0.6113 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2919 1.4602 -1.2895 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1411 0.8519 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5962 0.5934 0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5225 0.5953 -0.4140 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.2427 0.0273 0.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2010 -0.9871 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.4511 -0.7731 1.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.2557 0.4524 1.7156 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.1195 1.0838 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8046 2.2868 1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.6628 -0.6961 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8275 0.0117 -0.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.6190 -1.5635 0.7463 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.0091 -2.2687 1.8166 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.5435 -3.2693 2.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.7140 -3.8546 3.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.3909 -3.4855 3.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9357 -2.4892 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7035 -1.8737 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8277 0.5019 -2.3093 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.9888 -0.6551 -1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9421 -0.0517 -3.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6444 1.0351 -3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5503 4.2462 0.4559 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8049 4.7582 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3957 4.5415 -0.8766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -1.4938 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 -2.0400 -1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -0.8988 -3.2582 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 -1.0514 -3.8556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 -0.8305 -3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 -1.0688 -4.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1090 -0.4538 -2.0524 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5706 -0.4328 -1.9325 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8686 -1.9655 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2229 -2.1794 -1.5504 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1197 0.2537 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 0.8578 0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4963 0.2407 -0.5173 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0441 0.9314 0.7237 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7952 -0.0653 1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0460 -0.0027 3.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3443 0.0479 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6414 -0.8935 4.9477 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2932 0.7986 3.6078 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4027 1.2748 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8685 0.7274 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3071 2.1304 0.9954 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6675 2.3277 0.4240 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3714 1.0645 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7256 0.0471 1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7613 0.8978 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0
14.3946 -0.3818 0.8277 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5395 -0.6341 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4288 -1.5532 0.7580 C 0 0 1 0 0 0 0 0 0 0 0 0
15.9816 -1.4124 2.0962 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0359 -0.3979 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7446 0.3619 3.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2890 -2.9276 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2324 -3.6049 0.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5562 -3.3836 -0.1301 N 0 0 0 0 0 0 0 0 0 0 0 0
18.4843 -2.3233 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8538 -2.2992 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5910 -1.1728 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9765 -0.0661 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5968 -0.1090 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8667 -1.2276 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2415 3.5594 1.0095 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5042 4.0581 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3680 3.4279 2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3267 -5.0497 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0753 -4.1059 -4.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5290 -3.7862 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5859 -2.3520 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 -3.6078 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 -2.0178 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -4.2173 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 -4.0265 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2831 -3.0601 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 -0.3867 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.9312 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 0.6124 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 2.0640 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 0.3519 3.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7387 1.8376 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9892 0.2571 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9874 3.1107 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6146 2.1075 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6529 0.4964 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.3618 2.7839 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.9509 1.9136 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7002 4.8256 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4567 3.9508 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.3064 -0.3196 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -0.5870 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 -2.1803 -4.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5380 -0.2054 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0004 -0.1828 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.1821 -0.1911 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3692 1.7845 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6567 -0.3212 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2280 -1.1011 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4421 0.8898 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4594 -0.8564 3.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9886 -0.4955 5.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5129 -1.9069 4.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0602 2.6588 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5469 2.4422 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3737 1.6533 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5937 -1.1483 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1038 0.2974 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1968 -1.1119 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7930 -4.3251 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4067 -3.1357 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6699 -1.1150 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
20.5745 0.8052 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1164 0.7646 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4309 4.3517 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5880 3.6990 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4271 5.1715 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3910 3.8401 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6797 4.2750 2.8075 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
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13 14 1 0
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14 16 1 0
16 17 2 0
16 18 1 0
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91169 1 0
92170 1 0
M END
PDB for NP0015710 (Achromosin)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 -2.668 -4.064 -3.316 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.545 -3.020 -3.211 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.654 -2.395 -1.859 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.486 -3.504 -0.817 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.758 -1.267 -1.627 0.00 0.00 C+0 HETATM 6 N UNK 0 -0.886 -0.699 -0.270 0.00 0.00 N+0 HETATM 7 C UNK 0 0.109 0.239 0.140 0.00 0.00 C+0 HETATM 8 O UNK 0 1.063 0.456 -0.687 0.00 0.00 O+0 HETATM 9 C UNK 0 0.121 0.961 1.422 0.00 0.00 C+0 HETATM 10 N UNK 0 -1.171 0.803 2.129 0.00 0.00 N+0 HETATM 11 C UNK 0 -2.255 1.322 1.456 0.00 0.00 C+0 HETATM 12 O UNK 0 -2.080 1.874 0.288 0.00 0.00 O+0 HETATM 13 C UNK 0 -3.657 1.313 1.983 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.508 2.065 0.986 0.00 0.00 C+0 HETATM 15 N UNK 0 -4.561 1.507 -0.307 0.00 0.00 N+0 HETATM 16 C UNK 0 -5.830 2.427 1.509 0.00 0.00 C+0 HETATM 17 O UNK 0 -6.014 2.710 2.728 0.00 0.00 O+0 HETATM 18 N UNK 0 -6.894 2.454 0.545 0.00 0.00 N+0 HETATM 19 C UNK 0 -8.263 2.816 0.810 0.00 0.00 C+0 HETATM 20 C UNK 0 -9.206 1.819 0.194 0.00 0.00 C+0 HETATM 21 O UNK 0 -8.939 0.626 0.474 0.00 0.00 O+0 HETATM 22 N UNK 0 -10.264 2.183 -0.611 0.00 0.00 N+0 HETATM 23 C UNK 0 -11.292 1.460 -1.290 0.00 0.00 C+0 HETATM 24 C UNK 0 -12.141 0.852 -0.207 0.00 0.00 C+0 HETATM 25 O UNK 0 -11.596 0.593 0.870 0.00 0.00 O+0 HETATM 26 N UNK 0 -13.523 0.595 -0.414 0.00 0.00 N+0 HETATM 27 C UNK 0 -14.243 0.027 0.723 0.00 0.00 C+0 HETATM 28 C UNK 0 -15.201 -0.987 0.241 0.00 0.00 C+0 HETATM 29 C UNK 0 -16.451 -0.773 1.011 0.00 0.00 C+0 HETATM 30 O UNK 0 -16.256 0.452 1.716 0.00 0.00 O+0 HETATM 31 C UNK 0 -15.120 1.084 1.317 0.00 0.00 C+0 HETATM 32 O UNK 0 -14.805 2.287 1.396 0.00 0.00 O+0 HETATM 33 C UNK 0 -17.663 -0.696 0.170 0.00 0.00 C+0 HETATM 34 O UNK 0 -17.828 0.012 -0.878 0.00 0.00 O+0 HETATM 35 N UNK 0 -18.619 -1.563 0.746 0.00 0.00 N+0 HETATM 36 C UNK 0 -18.009 -2.269 1.817 0.00 0.00 C+0 HETATM 37 C UNK 0 -18.544 -3.269 2.644 0.00 0.00 C+0 HETATM 38 C UNK 0 -17.714 -3.855 3.584 0.00 0.00 C+0 HETATM 39 C UNK 0 -16.391 -3.486 3.727 0.00 0.00 C+0 HETATM 40 C UNK 0 -15.936 -2.489 2.878 0.00 0.00 C+0 HETATM 41 C UNK 0 -16.703 -1.874 1.936 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.828 0.502 -2.309 0.00 0.00 C+0 HETATM 43 C UNK 0 -9.989 -0.655 -1.905 0.00 0.00 C+0 HETATM 44 C UNK 0 -11.942 -0.052 -3.212 0.00 0.00 C+0 HETATM 45 C UNK 0 -12.644 1.035 -3.976 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.550 4.246 0.456 0.00 0.00 C+0 HETATM 47 C UNK 0 -9.805 4.758 1.087 0.00 0.00 C+0 HETATM 48 O UNK 0 -8.396 4.542 -0.877 0.00 0.00 O+0 HETATM 49 C UNK 0 0.692 -1.494 -1.965 0.00 0.00 C+0 HETATM 50 O UNK 0 1.540 -2.040 -1.354 0.00 0.00 O+0 HETATM 51 N UNK 0 1.057 -0.899 -3.258 0.00 0.00 N+0 HETATM 52 C UNK 0 2.316 -1.051 -3.856 0.00 0.00 C+0 HETATM 53 C UNK 0 3.602 -0.831 -3.285 0.00 0.00 C+0 HETATM 54 O UNK 0 4.570 -1.069 -4.187 0.00 0.00 O+0 HETATM 55 N UNK 0 4.109 -0.454 -2.052 0.00 0.00 N+0 HETATM 56 C UNK 0 5.571 -0.433 -1.933 0.00 0.00 C+0 HETATM 57 C UNK 0 5.869 -1.966 -1.678 0.00 0.00 C+0 HETATM 58 O UNK 0 7.223 -2.179 -1.550 0.00 0.00 O+0 HETATM 59 C UNK 0 6.120 0.254 -0.778 0.00 0.00 C+0 HETATM 60 O UNK 0 5.348 0.858 0.006 0.00 0.00 O+0 HETATM 61 N UNK 0 7.496 0.241 -0.517 0.00 0.00 N+0 HETATM 62 C UNK 0 8.044 0.931 0.724 0.00 0.00 C+0 HETATM 63 C UNK 0 7.795 -0.065 1.791 0.00 0.00 C+0 HETATM 64 C UNK 0 8.046 -0.003 3.200 0.00 0.00 C+0 HETATM 65 C UNK 0 9.344 0.048 3.844 0.00 0.00 C+0 HETATM 66 N UNK 0 9.641 -0.894 4.948 0.00 0.00 N+0 HETATM 67 O UNK 0 10.293 0.799 3.608 0.00 0.00 O+0 HETATM 68 C UNK 0 9.403 1.275 0.356 0.00 0.00 C+0 HETATM 69 O UNK 0 9.868 0.727 -0.725 0.00 0.00 O+0 HETATM 70 N UNK 0 10.307 2.130 0.995 0.00 0.00 N+0 HETATM 71 C UNK 0 11.668 2.328 0.424 0.00 0.00 C+0 HETATM 72 C UNK 0 12.371 1.065 0.693 0.00 0.00 C+0 HETATM 73 O UNK 0 11.726 0.047 1.086 0.00 0.00 O+0 HETATM 74 N UNK 0 13.761 0.898 0.545 0.00 0.00 N+0 HETATM 75 C UNK 0 14.395 -0.382 0.828 0.00 0.00 C+0 HETATM 76 C UNK 0 15.540 -0.634 -0.083 0.00 0.00 C+0 HETATM 77 C UNK 0 16.429 -1.553 0.758 0.00 0.00 C+0 HETATM 78 O UNK 0 15.982 -1.412 2.096 0.00 0.00 O+0 HETATM 79 C UNK 0 15.036 -0.398 2.177 0.00 0.00 C+0 HETATM 80 O UNK 0 14.745 0.362 3.126 0.00 0.00 O+0 HETATM 81 C UNK 0 16.289 -2.928 0.272 0.00 0.00 C+0 HETATM 82 O UNK 0 15.232 -3.605 0.215 0.00 0.00 O+0 HETATM 83 N UNK 0 17.556 -3.384 -0.130 0.00 0.00 N+0 HETATM 84 C UNK 0 18.484 -2.323 0.105 0.00 0.00 C+0 HETATM 85 C UNK 0 19.854 -2.299 -0.117 0.00 0.00 C+0 HETATM 86 C UNK 0 20.591 -1.173 0.194 0.00 0.00 C+0 HETATM 87 C UNK 0 19.977 -0.066 0.723 0.00 0.00 C+0 HETATM 88 C UNK 0 18.597 -0.109 0.938 0.00 0.00 C+0 HETATM 89 C UNK 0 17.867 -1.228 0.630 0.00 0.00 C+0 HETATM 90 C UNK 0 12.242 3.559 1.010 0.00 0.00 C+0 HETATM 91 C UNK 0 13.504 4.058 0.365 0.00 0.00 C+0 HETATM 92 O UNK 0 12.368 3.428 2.401 0.00 0.00 O+0 HETATM 93 H UNK 0 -2.327 -5.050 -2.916 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.075 -4.106 -4.339 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.529 -3.786 -2.645 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.586 -2.352 -4.064 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.586 -3.608 -3.321 0.00 0.00 H+0 HETATM 98 H UNK 0 -2.713 -2.018 -1.784 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.700 -4.217 -1.101 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.451 -4.027 -0.720 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.283 -3.060 0.186 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.026 -0.387 -2.277 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.639 -0.931 0.389 0.00 0.00 H+0 HETATM 104 H UNK 0 0.957 0.612 2.013 0.00 0.00 H+0 HETATM 105 H UNK 0 0.183 2.064 1.216 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.195 0.352 3.033 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.739 1.838 2.945 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.989 0.257 2.007 0.00 0.00 H+0 HETATM 109 H UNK 0 -3.987 3.111 0.868 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.615 2.107 -1.125 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.653 0.496 -0.407 0.00 0.00 H+0 HETATM 112 H UNK 0 -6.658 2.184 -0.437 0.00 0.00 H+0 HETATM 113 H UNK 0 -8.362 2.784 1.929 0.00 0.00 H+0 HETATM 114 H UNK 0 -10.301 3.285 -0.777 0.00 0.00 H+0 HETATM 115 H UNK 0 -11.929 2.216 -1.851 0.00 0.00 H+0 HETATM 116 H UNK 0 -13.979 0.801 -1.303 0.00 0.00 H+0 HETATM 117 H UNK 0 -13.572 -0.391 1.485 0.00 0.00 H+0 HETATM 118 H UNK 0 -14.813 -2.031 0.404 0.00 0.00 H+0 HETATM 119 H UNK 0 -15.470 -0.858 -0.850 0.00 0.00 H+0 HETATM 120 H UNK 0 -19.631 -1.697 0.452 0.00 0.00 H+0 HETATM 121 H UNK 0 -19.564 -3.595 2.574 0.00 0.00 H+0 HETATM 122 H UNK 0 -18.095 -4.624 4.228 0.00 0.00 H+0 HETATM 123 H UNK 0 -15.752 -3.950 4.455 0.00 0.00 H+0 HETATM 124 H UNK 0 -14.894 -2.187 2.977 0.00 0.00 H+0 HETATM 125 H UNK 0 -10.212 1.125 -3.079 0.00 0.00 H+0 HETATM 126 H UNK 0 -8.920 -0.363 -1.921 0.00 0.00 H+0 HETATM 127 H UNK 0 -10.062 -1.420 -2.755 0.00 0.00 H+0 HETATM 128 H UNK 0 -10.270 -1.130 -0.963 0.00 0.00 H+0 HETATM 129 H UNK 0 -11.449 -0.780 -3.900 0.00 0.00 H+0 HETATM 130 H UNK 0 -12.649 -0.654 -2.622 0.00 0.00 H+0 HETATM 131 H UNK 0 -13.622 1.324 -3.573 0.00 0.00 H+0 HETATM 132 H UNK 0 -12.790 0.683 -5.045 0.00 0.00 H+0 HETATM 133 H UNK 0 -11.951 1.914 -3.967 0.00 0.00 H+0 HETATM 134 H UNK 0 -7.700 4.826 0.978 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.457 3.951 1.472 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.394 5.356 0.375 0.00 0.00 H+0 HETATM 137 H UNK 0 -9.544 5.457 1.928 0.00 0.00 H+0 HETATM 138 H UNK 0 -8.431 5.496 -1.020 0.00 0.00 H+0 HETATM 139 H UNK 0 0.306 -0.320 -3.756 0.00 0.00 H+0 HETATM 140 H UNK 0 2.268 -0.587 -4.929 0.00 0.00 H+0 HETATM 141 H UNK 0 2.356 -2.180 -4.217 0.00 0.00 H+0 HETATM 142 H UNK 0 3.538 -0.205 -1.247 0.00 0.00 H+0 HETATM 143 H UNK 0 6.000 -0.183 -2.894 0.00 0.00 H+0 HETATM 144 H UNK 0 5.385 -2.149 -0.716 0.00 0.00 H+0 HETATM 145 H UNK 0 5.381 -2.519 -2.485 0.00 0.00 H+0 HETATM 146 H UNK 0 7.461 -3.038 -2.008 0.00 0.00 H+0 HETATM 147 H UNK 0 8.182 -0.191 -1.121 0.00 0.00 H+0 HETATM 148 H UNK 0 7.369 1.785 0.915 0.00 0.00 H+0 HETATM 149 H UNK 0 6.657 -0.321 1.683 0.00 0.00 H+0 HETATM 150 H UNK 0 8.228 -1.101 1.403 0.00 0.00 H+0 HETATM 151 H UNK 0 7.442 0.890 3.675 0.00 0.00 H+0 HETATM 152 H UNK 0 7.459 -0.856 3.747 0.00 0.00 H+0 HETATM 153 H UNK 0 9.989 -0.496 5.829 0.00 0.00 H+0 HETATM 154 H UNK 0 9.513 -1.907 4.832 0.00 0.00 H+0 HETATM 155 H UNK 0 10.060 2.659 1.837 0.00 0.00 H+0 HETATM 156 H UNK 0 11.547 2.442 -0.703 0.00 0.00 H+0 HETATM 157 H UNK 0 14.374 1.653 0.232 0.00 0.00 H+0 HETATM 158 H UNK 0 13.594 -1.148 0.794 0.00 0.00 H+0 HETATM 159 H UNK 0 16.104 0.297 -0.298 0.00 0.00 H+0 HETATM 160 H UNK 0 15.197 -1.112 -1.023 0.00 0.00 H+0 HETATM 161 H UNK 0 17.793 -4.325 -0.533 0.00 0.00 H+0 HETATM 162 H UNK 0 20.407 -3.136 -0.532 0.00 0.00 H+0 HETATM 163 H UNK 0 21.670 -1.115 0.044 0.00 0.00 H+0 HETATM 164 H UNK 0 20.575 0.805 0.955 0.00 0.00 H+0 HETATM 165 H UNK 0 18.116 0.765 1.354 0.00 0.00 H+0 HETATM 166 H UNK 0 11.431 4.352 0.899 0.00 0.00 H+0 HETATM 167 H UNK 0 13.588 3.699 -0.671 0.00 0.00 H+0 HETATM 168 H UNK 0 13.427 5.172 0.315 0.00 0.00 H+0 HETATM 169 H UNK 0 14.391 3.840 0.996 0.00 0.00 H+0 HETATM 170 H UNK 0 12.680 4.275 2.808 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 96 97 CONECT 3 2 4 5 98 CONECT 4 3 99 100 101 CONECT 5 3 6 49 102 CONECT 6 5 7 103 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 104 105 CONECT 10 9 11 106 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 107 108 CONECT 14 13 15 16 109 CONECT 15 14 110 111 CONECT 16 14 17 18 CONECT 17 16 CONECT 18 16 19 112 CONECT 19 18 20 46 113 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 114 CONECT 23 22 24 42 115 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 116 CONECT 27 26 28 31 117 CONECT 28 27 29 118 119 CONECT 29 28 30 33 41 CONECT 30 29 31 CONECT 31 30 32 27 CONECT 32 31 CONECT 33 29 34 35 CONECT 34 33 CONECT 35 33 36 120 CONECT 36 35 37 41 CONECT 37 36 38 121 CONECT 38 37 39 122 CONECT 39 38 40 123 CONECT 40 39 41 124 CONECT 41 40 36 29 CONECT 42 23 43 44 125 CONECT 43 42 126 127 128 CONECT 44 42 45 129 130 CONECT 45 44 131 132 133 CONECT 46 19 47 48 134 CONECT 47 46 135 136 137 CONECT 48 46 138 CONECT 49 5 50 51 CONECT 50 49 CONECT 51 49 52 139 CONECT 52 51 53 140 141 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 142 CONECT 56 55 57 59 143 CONECT 57 56 58 144 145 CONECT 58 57 146 CONECT 59 56 60 61 CONECT 60 59 CONECT 61 59 62 147 CONECT 62 61 63 68 148 CONECT 63 62 64 149 150 CONECT 64 63 65 151 152 CONECT 65 64 66 67 CONECT 66 65 153 154 CONECT 67 65 CONECT 68 62 69 70 CONECT 69 68 CONECT 70 68 71 155 CONECT 71 70 72 90 156 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 157 CONECT 75 74 76 79 158 CONECT 76 75 77 159 160 CONECT 77 76 78 81 89 CONECT 78 77 79 CONECT 79 78 80 75 CONECT 80 79 CONECT 81 77 82 83 CONECT 82 81 CONECT 83 81 84 161 CONECT 84 83 85 89 CONECT 85 84 86 162 CONECT 86 85 87 163 CONECT 87 86 88 164 CONECT 88 87 89 165 CONECT 89 88 84 77 CONECT 90 71 91 92 166 CONECT 91 90 167 168 169 CONECT 92 90 170 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 2 CONECT 97 2 CONECT 98 3 CONECT 99 4 CONECT 100 4 CONECT 101 4 CONECT 102 5 CONECT 103 6 CONECT 104 9 CONECT 105 9 CONECT 106 10 CONECT 107 13 CONECT 108 13 CONECT 109 14 CONECT 110 15 CONECT 111 15 CONECT 112 18 CONECT 113 19 CONECT 114 22 CONECT 115 23 CONECT 116 26 CONECT 117 27 CONECT 118 28 CONECT 119 28 CONECT 120 35 CONECT 121 37 CONECT 122 38 CONECT 123 39 CONECT 124 40 CONECT 125 42 CONECT 126 43 CONECT 127 43 CONECT 128 43 CONECT 129 44 CONECT 130 44 CONECT 131 45 CONECT 132 45 CONECT 133 45 CONECT 134 46 CONECT 135 47 CONECT 136 47 CONECT 137 47 CONECT 138 48 CONECT 139 51 CONECT 140 52 CONECT 141 52 CONECT 142 55 CONECT 143 56 CONECT 144 57 CONECT 145 57 CONECT 146 58 CONECT 147 61 CONECT 148 62 CONECT 149 63 CONECT 150 63 CONECT 151 64 CONECT 152 64 CONECT 153 66 CONECT 154 66 CONECT 155 70 CONECT 156 71 CONECT 157 74 CONECT 158 75 CONECT 159 76 CONECT 160 76 CONECT 161 83 CONECT 162 85 CONECT 163 86 CONECT 164 87 CONECT 165 88 CONECT 166 90 CONECT 167 91 CONECT 168 91 CONECT 169 91 CONECT 170 92 MASTER 0 0 0 0 0 0 0 0 170 0 350 0 END SMILES for NP0015710 (Achromosin)[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])[C@@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]1([H])C(=O)O[C@@]2(C(=O)N([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)O[C@@]2(C(=O)N([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0015710 (Achromosin)InChI=1S/C58H78N14O20/c1-7-25(3)42(69-41(79)22-61-39(77)19-31(59)46(80)71-45(28(6)75)52(86)70-43(26(4)8-2)50(84)65-35-20-57(91-53(35)87)29-13-9-11-15-32(29)67-55(57)89)49(83)62-23-40(78)63-37(24-73)48(82)64-34(17-18-38(60)76)47(81)72-44(27(5)74)51(85)66-36-21-58(92-54(36)88)30-14-10-12-16-33(30)68-56(58)90/h9-16,25-28,31,34-37,42-45,73-75H,7-8,17-24,59H2,1-6H3,(H2,60,76)(H,61,77)(H,62,83)(H,63,78)(H,64,82)(H,65,84)(H,66,85)(H,67,89)(H,68,90)(H,69,79)(H,70,86)(H,71,80)(H,72,81)/t25-,26+,27+,28+,31-,34+,35-,36+,37-,42-,43+,44+,45+,57+,58+/m1/s1 3D Structure for NP0015710 (Achromosin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C58H78N14O20 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1291.3400 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1290.55168 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-[(2R)-2-{2-[(2R,3R)-2-{2-[(3R)-3-amino-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(3S,4'R)-2,5'-dioxo-1,2-dihydrospiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanamido]acetamido}-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-N-[(1S,2S)-1-{[(3S,4'S)-2,5'-dioxo-1,2-dihydrospiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-hydroxypropyl]pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-[(2R)-2-{2-[(2R,3R)-2-{2-[(3R)-3-amino-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(3S,4'R)-2,5'-dioxo-1H-spiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanamido]acetamido}-3-methylpentanamido]acetamido}-3-hydroxypropanamido]-N-[(1S,2S)-1-{[(3S,4'S)-2,5'-dioxo-1H-spiro[indole-3,2'-oxolane]-4'-yl]carbamoyl}-2-hydroxypropyl]pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)C(NC(=O)CNC(=O)CC(N)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC1CC2(OC1=O)C(=O)NC1=CC=CC=C21)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC1CC2(OC1=O)C(=O)NC1=CC=CC=C21 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C58H78N14O20/c1-7-25(3)42(69-41(79)22-61-39(77)19-31(59)46(80)71-45(28(6)75)52(86)70-43(26(4)8-2)50(84)65-35-20-57(91-53(35)87)29-13-9-11-15-32(29)67-55(57)89)49(83)62-23-40(78)63-37(24-73)48(82)64-34(17-18-38(60)76)47(81)72-44(27(5)74)51(85)66-36-21-58(92-54(36)88)30-14-10-12-16-33(30)68-56(58)90/h9-16,25-28,31,34-37,42-45,73-75H,7-8,17-24,59H2,1-6H3,(H2,60,76)(H,61,77)(H,62,83)(H,63,78)(H,64,82)(H,65,84)(H,66,85)(H,67,89)(H,68,90)(H,69,79)(H,70,86)(H,71,80)(H,72,81) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | UPDWXHZCLUCKNY-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA021561 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444460 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139589402 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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