Showing NP-Card for Moenomycin H (NP0021371)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:37:45 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:36:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021371 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Moenomycin H | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Moenomycin H belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Moenomycin H is found in Streptomyces. It was first documented in 1969 (PMID: 4312665). Based on a literature review a significant number of articles have been published on Moenomycin H (PMID: 26389402) (PMID: 34428003) (PMID: 26389465) (PMID: 26389390) (PMID: 26389303) (PMID: 26389290). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021371 (Moenomycin H)
Mrv1652307042107593D
149154 0 0 0 0 999 V2000
-2.0286 -5.3270 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 -4.0275 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4398 -3.0357 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -3.8941 -1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 -2.6181 -2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9237 -2.1465 -1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8704 -1.3205 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7500 -1.6383 0.3180 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0006 -2.0189 1.5716 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5705 -3.2673 2.1858 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8841 -3.8064 3.1961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -3.1745 4.3616 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2691 -3.8125 5.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -5.0788 5.7017 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8016 -6.0252 4.9897 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0869 -5.8249 5.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 -5.3807 5.1685 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4598 -5.9073 3.8606 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -4.2202 5.1793 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8958 -3.9617 6.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -2.9853 4.6656 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9539 -1.9166 5.5592 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -0.9634 2.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.2629 1.8302 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1945 1.1061 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 1.5149 2.5844 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8687 1.1080 3.8367 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0563 1.7750 4.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 0.8068 4.8276 P 0 0 2 0 0 5 0 0 0 0 0 0
-4.2778 1.1736 6.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7027 -0.8115 4.6813 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7039 1.0586 4.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8651 2.3239 3.6111 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2784 2.4792 3.0544 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2146 2.3120 4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5217 3.7952 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3919 4.5683 2.8888 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7564 4.1918 1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0234 1.4488 4.9015 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 2.6825 4.8502 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6248 3.3182 6.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 4.6162 6.5036 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.7203 7.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 3.6189 3.8375 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0517 4.7028 3.7506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 2.9882 2.4622 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2703 3.5872 1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 4.4035 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3286 5.0447 0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 4.5677 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.7141 1.2239 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7509 1.6565 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3133 2.9615 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 3.9396 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 3.2764 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -0.4971 0.6783 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6947 -0.9586 1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -1.3144 -2.7617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -1.8475 -4.0253 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7276 -3.2795 -4.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -1.6983 -4.3749 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5282 -0.3890 -4.0676 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 0.4239 -5.1954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2436 1.4408 -5.0296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1535 2.4942 -5.9394 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5339 2.6997 -6.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 1.8334 -6.3069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 3.8384 -7.3233 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9697 4.1786 -7.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 3.6057 -8.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4935 2.3949 -7.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1324 4.3525 -8.8224 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3122 5.3538 -9.5632 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0827 5.4229 -8.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 6.3982 -8.7920 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7947 2.1919 -7.0479 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8694 3.2651 -7.9198 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 1.9714 -6.4068 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5429 3.2059 -5.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 0.8877 -5.3510 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6971 1.2564 -4.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -2.7346 -3.5355 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1945 -2.5726 -3.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -5.3888 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5919 -6.1380 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -5.5272 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -4.7332 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 -1.8897 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -2.9745 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 -2.5195 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0365 -2.2684 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 -3.1250 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6247 -4.0544 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -2.1611 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -5.3642 6.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 -7.0600 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 -5.8113 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4832 -5.0636 5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -6.1848 5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -6.8981 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 -4.4510 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -4.7124 6.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 -2.6789 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -1.9408 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.1888 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.9708 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.0006 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -1.2322 5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1099 2.5194 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7365 3.0679 4.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4354 1.6679 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5994 3.2079 4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8940 3.8463 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 2.5703 4.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 4.7894 6.4362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 5.4118 6.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9081 4.0962 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 4.4593 3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 3.3129 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 5.5044 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 5.0736 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6107 1.2621 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 1.3747 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 4.9237 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0586 4.1301 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 3.5675 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -0.1952 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3728 -1.4668 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -1.2039 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2960 -3.6317 -5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 -3.9062 -3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 -3.3387 -4.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 -1.8601 -5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -0.1522 -6.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1304 3.4417 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 4.4988 -7.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 2.3181 -6.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 4.8247 -8.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6168 3.6559 -9.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0417 5.0602 -10.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 6.3210 -9.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5574 1.2502 -7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 4.0010 -7.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.7176 -7.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3641 3.1423 -5.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 0.0012 -5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 1.8900 -3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 -3.7264 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -2.2654 -4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
9 23 1 0 0 0 0
23 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
29 28 1 6 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 2 0 0 0 0
40 44 1 0 0 0 0
44 45 1 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
48 50 2 0 0 0 0
24 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
53 55 2 0 0 0 0
51 56 1 0 0 0 0
56 57 1 0 0 0 0
6 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 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
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
65 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
61 82 1 0 0 0 0
82 83 1 0 0 0 0
82 5 1 0 0 0 0
56 8 1 0 0 0 0
80 63 1 0 0 0 0
21 12 1 0 0 0 0
46 26 1 0 0 0 0
74 69 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 1 0 0 0
6 89 1 1 0 0 0
8 90 1 6 0 0 0
9 91 1 6 0 0 0
10 92 1 0 0 0 0
10 93 1 0 0 0 0
12 94 1 6 0 0 0
14 95 1 1 0 0 0
15 96 1 0 0 0 0
15 97 1 0 0 0 0
16 98 1 0 0 0 0
17 99 1 1 0 0 0
18100 1 0 0 0 0
19101 1 6 0 0 0
20102 1 0 0 0 0
21103 1 6 0 0 0
22104 1 0 0 0 0
24105 1 6 0 0 0
26106 1 6 0 0 0
27107 1 6 0 0 0
31108 1 0 0 0 0
33109 1 0 0 0 0
33110 1 0 0 0 0
34111 1 6 0 0 0
35112 1 0 0 0 0
38113 1 0 0 0 0
40114 1 6 0 0 0
42115 1 0 0 0 0
42116 1 0 0 0 0
44117 1 1 0 0 0
45118 1 0 0 0 0
46119 1 6 0 0 0
49120 1 0 0 0 0
49121 1 0 0 0 0
51122 1 1 0 0 0
52123 1 0 0 0 0
54124 1 0 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
56127 1 6 0 0 0
57128 1 0 0 0 0
59129 1 6 0 0 0
60130 1 0 0 0 0
60131 1 0 0 0 0
60132 1 0 0 0 0
61133 1 6 0 0 0
63134 1 6 0 0 0
65135 1 1 0 0 0
68136 1 0 0 0 0
71137 1 0 0 0 0
72138 1 0 0 0 0
72139 1 0 0 0 0
73140 1 0 0 0 0
73141 1 0 0 0 0
76142 1 6 0 0 0
77143 1 0 0 0 0
78144 1 6 0 0 0
79145 1 0 0 0 0
80146 1 6 0 0 0
81147 1 0 0 0 0
82148 1 6 0 0 0
83149 1 0 0 0 0
M END
3D MOL for NP0021371 (Moenomycin H)
RDKit 3D
149154 0 0 0 0 0 0 0 0999 V2000
-2.0286 -5.3270 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 -4.0275 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4398 -3.0357 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -3.8941 -1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 -2.6181 -2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9237 -2.1465 -1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8704 -1.3205 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7500 -1.6383 0.3180 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0006 -2.0189 1.5716 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5705 -3.2673 2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8841 -3.8064 3.1961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -3.1745 4.3616 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2691 -3.8125 5.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -5.0788 5.7017 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8016 -6.0252 4.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -5.8249 5.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 -5.3807 5.1685 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4598 -5.9073 3.8606 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -4.2202 5.1793 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8958 -3.9617 6.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -2.9853 4.6656 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9539 -1.9166 5.5592 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -0.9634 2.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.2629 1.8302 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1945 1.1061 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 1.5149 2.5844 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8687 1.1080 3.8367 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0563 1.7750 4.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 0.8068 4.8276 P 0 0 2 0 0 5 0 0 0 0 0 0
-4.2778 1.1736 6.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7027 -0.8115 4.6813 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7039 1.0586 4.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8651 2.3239 3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2784 2.4792 3.0544 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2146 2.3120 4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5217 3.7952 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3919 4.5683 2.8888 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7564 4.1918 1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0234 1.4488 4.9015 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 2.6825 4.8502 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6248 3.3182 6.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 4.6162 6.5036 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.7203 7.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 3.6189 3.8375 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0517 4.7028 3.7506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 2.9882 2.4622 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2703 3.5872 1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 4.4035 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3286 5.0447 0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 4.5677 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.7141 1.2239 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7509 1.6565 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3133 2.9615 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 3.9396 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 3.2764 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -0.4971 0.6783 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6947 -0.9586 1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -1.3144 -2.7617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -1.8475 -4.0253 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7276 -3.2795 -4.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -1.6983 -4.3749 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5282 -0.3890 -4.0676 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 0.4239 -5.1954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2436 1.4408 -5.0296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1535 2.4942 -5.9394 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5339 2.6997 -6.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 1.8334 -6.3069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 3.8384 -7.3233 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9697 4.1786 -7.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 3.6057 -8.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4935 2.3949 -7.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1324 4.3525 -8.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3122 5.3538 -9.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 5.4229 -8.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 6.3982 -8.7920 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7947 2.1919 -7.0479 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8694 3.2651 -7.9198 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 1.9714 -6.4068 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5429 3.2059 -5.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 0.8877 -5.3510 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6971 1.2564 -4.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -2.7346 -3.5355 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1945 -2.5726 -3.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -5.3888 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5919 -6.1380 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -5.5272 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -4.7332 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 -1.8897 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -2.9745 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 -2.5195 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0365 -2.2684 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 -3.1250 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6247 -4.0544 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -2.1611 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -5.3642 6.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 -7.0600 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 -5.8113 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4832 -5.0636 5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -6.1848 5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -6.8981 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 -4.4510 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -4.7124 6.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 -2.6789 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -1.9408 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.1888 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.9708 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.0006 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -1.2322 5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1099 2.5194 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7365 3.0679 4.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4354 1.6679 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5994 3.2079 4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8940 3.8463 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 2.5703 4.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 4.7894 6.4362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 5.4118 6.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9081 4.0962 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 4.4593 3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 3.3129 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 5.5044 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 5.0736 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6107 1.2621 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 1.3747 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 4.9237 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0586 4.1301 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 3.5675 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -0.1952 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3728 -1.4668 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -1.2039 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2960 -3.6317 -5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 -3.9062 -3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 -3.3387 -4.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 -1.8601 -5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -0.1522 -6.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1304 3.4417 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 4.4988 -7.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 2.3181 -6.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 4.8247 -8.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6168 3.6559 -9.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0417 5.0602 -10.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 6.3210 -9.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5574 1.2502 -7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 4.0010 -7.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.7176 -7.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3641 3.1423 -5.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 0.0012 -5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 1.8900 -3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 -3.7264 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -2.2654 -4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
19 21 1 0
21 22 1 0
9 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
29 28 1 6
29 30 2 0
29 31 1 0
29 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
34 36 1 0
36 37 2 0
36 38 1 0
27 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 2 0
40 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 2 0
24 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
53 55 2 0
51 56 1 0
56 57 1 0
6 58 1 0
58 59 1 0
59 60 1 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
66 67 2 0
66 68 1 0
68 69 1 0
69 70 2 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 2 0
65 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
78 80 1 0
80 81 1 0
61 82 1 0
82 83 1 0
82 5 1 0
56 8 1 0
80 63 1 0
21 12 1 0
46 26 1 0
74 69 1 0
1 84 1 0
1 85 1 0
1 86 1 0
4 87 1 0
5 88 1 1
6 89 1 1
8 90 1 6
9 91 1 6
10 92 1 0
10 93 1 0
12 94 1 6
14 95 1 1
15 96 1 0
15 97 1 0
16 98 1 0
17 99 1 1
18100 1 0
19101 1 6
20102 1 0
21103 1 6
22104 1 0
24105 1 6
26106 1 6
27107 1 6
31108 1 0
33109 1 0
33110 1 0
34111 1 6
35112 1 0
38113 1 0
40114 1 6
42115 1 0
42116 1 0
44117 1 1
45118 1 0
46119 1 6
49120 1 0
49121 1 0
51122 1 1
52123 1 0
54124 1 0
54125 1 0
54126 1 0
56127 1 6
57128 1 0
59129 1 6
60130 1 0
60131 1 0
60132 1 0
61133 1 6
63134 1 6
65135 1 1
68136 1 0
71137 1 0
72138 1 0
72139 1 0
73140 1 0
73141 1 0
76142 1 6
77143 1 0
78144 1 6
79145 1 0
80146 1 6
81147 1 0
82148 1 6
83149 1 0
M END
3D SDF for NP0021371 (Moenomycin H)
Mrv1652307042107593D
149154 0 0 0 0 999 V2000
-2.0286 -5.3270 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 -4.0275 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4398 -3.0357 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -3.8941 -1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 -2.6181 -2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9237 -2.1465 -1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8704 -1.3205 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7500 -1.6383 0.3180 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0006 -2.0189 1.5716 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5705 -3.2673 2.1858 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8841 -3.8064 3.1961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -3.1745 4.3616 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2691 -3.8125 5.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -5.0788 5.7017 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8016 -6.0252 4.9897 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0869 -5.8249 5.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 -5.3807 5.1685 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4598 -5.9073 3.8606 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -4.2202 5.1793 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8958 -3.9617 6.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -2.9853 4.6656 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9539 -1.9166 5.5592 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -0.9634 2.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.2629 1.8302 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1945 1.1061 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 1.5149 2.5844 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8687 1.1080 3.8367 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0563 1.7750 4.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 0.8068 4.8276 P 0 0 2 0 0 5 0 0 0 0 0 0
-4.2778 1.1736 6.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7027 -0.8115 4.6813 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7039 1.0586 4.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8651 2.3239 3.6111 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2784 2.4792 3.0544 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2146 2.3120 4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5217 3.7952 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3919 4.5683 2.8888 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7564 4.1918 1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0234 1.4488 4.9015 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 2.6825 4.8502 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6248 3.3182 6.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 4.6162 6.5036 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.7203 7.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 3.6189 3.8375 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0517 4.7028 3.7506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 2.9882 2.4622 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2703 3.5872 1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 4.4035 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3286 5.0447 0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 4.5677 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.7141 1.2239 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7509 1.6565 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3133 2.9615 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 3.9396 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 3.2764 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -0.4971 0.6783 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6947 -0.9586 1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -1.3144 -2.7617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -1.8475 -4.0253 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7276 -3.2795 -4.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -1.6983 -4.3749 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5282 -0.3890 -4.0676 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 0.4239 -5.1954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2436 1.4408 -5.0296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1535 2.4942 -5.9394 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5339 2.6997 -6.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 1.8334 -6.3069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 3.8384 -7.3233 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9697 4.1786 -7.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 3.6057 -8.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4935 2.3949 -7.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1324 4.3525 -8.8224 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3122 5.3538 -9.5632 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0827 5.4229 -8.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 6.3982 -8.7920 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7947 2.1919 -7.0479 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8694 3.2651 -7.9198 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 1.9714 -6.4068 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5429 3.2059 -5.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 0.8877 -5.3510 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6971 1.2564 -4.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -2.7346 -3.5355 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1945 -2.5726 -3.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -5.3888 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5919 -6.1380 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -5.5272 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -4.7332 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 -1.8897 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -2.9745 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 -2.5195 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0365 -2.2684 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 -3.1250 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6247 -4.0544 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -2.1611 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -5.3642 6.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 -7.0600 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 -5.8113 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4832 -5.0636 5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -6.1848 5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -6.8981 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 -4.4510 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -4.7124 6.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 -2.6789 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -1.9408 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.1888 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.9708 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.0006 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -1.2322 5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1099 2.5194 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7365 3.0679 4.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4354 1.6679 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5994 3.2079 4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8940 3.8463 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 2.5703 4.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 4.7894 6.4362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 5.4118 6.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9081 4.0962 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 4.4593 3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 3.3129 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 5.5044 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 5.0736 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6107 1.2621 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 1.3747 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 4.9237 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0586 4.1301 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 3.5675 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -0.1952 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3728 -1.4668 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -1.2039 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2960 -3.6317 -5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 -3.9062 -3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 -3.3387 -4.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 -1.8601 -5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -0.1522 -6.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1304 3.4417 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 4.4988 -7.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 2.3181 -6.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 4.8247 -8.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6168 3.6559 -9.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0417 5.0602 -10.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 6.3210 -9.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5574 1.2502 -7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 4.0010 -7.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.7176 -7.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3641 3.1423 -5.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 0.0012 -5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 1.8900 -3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 -3.7264 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -2.2654 -4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
9 23 1 0 0 0 0
23 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
29 28 1 6 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 2 0 0 0 0
40 44 1 0 0 0 0
44 45 1 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
48 50 2 0 0 0 0
24 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
53 55 2 0 0 0 0
51 56 1 0 0 0 0
56 57 1 0 0 0 0
6 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 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
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66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
65 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
61 82 1 0 0 0 0
82 83 1 0 0 0 0
82 5 1 0 0 0 0
56 8 1 0 0 0 0
80 63 1 0 0 0 0
21 12 1 0 0 0 0
46 26 1 0 0 0 0
74 69 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 1 0 0 0
6 89 1 1 0 0 0
8 90 1 6 0 0 0
9 91 1 6 0 0 0
10 92 1 0 0 0 0
10 93 1 0 0 0 0
12 94 1 6 0 0 0
14 95 1 1 0 0 0
15 96 1 0 0 0 0
15 97 1 0 0 0 0
16 98 1 0 0 0 0
17 99 1 1 0 0 0
18100 1 0 0 0 0
19101 1 6 0 0 0
20102 1 0 0 0 0
21103 1 6 0 0 0
22104 1 0 0 0 0
24105 1 6 0 0 0
26106 1 6 0 0 0
27107 1 6 0 0 0
31108 1 0 0 0 0
33109 1 0 0 0 0
33110 1 0 0 0 0
34111 1 6 0 0 0
35112 1 0 0 0 0
38113 1 0 0 0 0
40114 1 6 0 0 0
42115 1 0 0 0 0
42116 1 0 0 0 0
44117 1 1 0 0 0
45118 1 0 0 0 0
46119 1 6 0 0 0
49120 1 0 0 0 0
49121 1 0 0 0 0
51122 1 1 0 0 0
52123 1 0 0 0 0
54124 1 0 0 0 0
54125 1 0 0 0 0
54126 1 0 0 0 0
56127 1 6 0 0 0
57128 1 0 0 0 0
59129 1 6 0 0 0
60130 1 0 0 0 0
60131 1 0 0 0 0
60132 1 0 0 0 0
61133 1 6 0 0 0
63134 1 6 0 0 0
65135 1 1 0 0 0
68136 1 0 0 0 0
71137 1 0 0 0 0
72138 1 0 0 0 0
72139 1 0 0 0 0
73140 1 0 0 0 0
73141 1 0 0 0 0
76142 1 6 0 0 0
77143 1 0 0 0 0
78144 1 6 0 0 0
79145 1 0 0 0 0
80146 1 6 0 0 0
81147 1 0 0 0 0
82148 1 6 0 0 0
83149 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021371
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(O[H])C([H])([H])O[P@@](=O)(O[H])O[C@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C43H66N5O34P/c1-9-29(76-41-27(62)24(59)25(60)33(79-41)36(65)48-17-12(52)4-5-13(17)53)21(56)18(46-10(2)50)38(73-9)77-30-16(8-71-40-26(61)23(58)20(55)15(6-49)74-40)75-39(19(22(30)57)47-11(3)51)80-34-31(81-43(45)68)28(63)32(35(44)64)78-42(34)82-83(69,70)72-7-14(54)37(66)67/h9,14-16,18-34,38-42,49,52,54-63H,4-8H2,1-3H3,(H2,44,64)(H2,45,68)(H,46,50)(H,47,51)(H,48,65)(H,66,67)(H,69,70)/t9-,14+,15+,16+,18+,19+,20-,21+,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,38-,39-,40+,41+,42-/m0/s1
> <INCHI_KEY>
AYPBINFDHGMDSL-JHNAURKQSA-N
> <FORMULA>
C43H66N5O34P
> <MOLECULAR_WEIGHT>
1227.976
> <EXACT_MASS>
1227.332681223
> <JCHEM_ACCEPTOR_COUNT>
31
> <JCHEM_ATOM_COUNT>
149
> <JCHEM_AVERAGE_POLARIZABILITY>
110.94057681947433
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
19
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-3-[({[(2S,3R,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-hydroxypropanoic acid
> <ALOGPS_LOGP>
-1.28
> <JCHEM_LOGP>
-11.248575151666667
> <ALOGPS_LOGS>
-2.08
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.20709972519227
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5747584942865376
> <JCHEM_PKA_STRONGEST_BASIC>
-3.9483996881929047
> <JCHEM_POLAR_SURFACE_AREA>
618.6700000000001
> <JCHEM_REFRACTIVITY>
250.30910000000006
> <JCHEM_ROTATABLE_BOND_COUNT>
23
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.01e+01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-({[(2S,3R,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-hydroxypropanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021371 (Moenomycin H)
RDKit 3D
149154 0 0 0 0 0 0 0 0999 V2000
-2.0286 -5.3270 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 -4.0275 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4398 -3.0357 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -3.8941 -1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 -2.6181 -2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9237 -2.1465 -1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8704 -1.3205 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7500 -1.6383 0.3180 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0006 -2.0189 1.5716 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5705 -3.2673 2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8841 -3.8064 3.1961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -3.1745 4.3616 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2691 -3.8125 5.4552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 -5.0788 5.7017 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8016 -6.0252 4.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -5.8249 5.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 -5.3807 5.1685 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4598 -5.9073 3.8606 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -4.2202 5.1793 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8958 -3.9617 6.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 -2.9853 4.6656 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9539 -1.9166 5.5592 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -0.9634 2.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.2629 1.8302 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1945 1.1061 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 1.5149 2.5844 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8687 1.1080 3.8367 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0563 1.7750 4.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 0.8068 4.8276 P 0 0 2 0 0 5 0 0 0 0 0 0
-4.2778 1.1736 6.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7027 -0.8115 4.6813 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7039 1.0586 4.1623 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8651 2.3239 3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2784 2.4792 3.0544 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2146 2.3120 4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5217 3.7952 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3919 4.5683 2.8888 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7564 4.1918 1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0234 1.4488 4.9015 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 2.6825 4.8502 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6248 3.3182 6.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 4.6162 6.5036 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 2.7203 7.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 3.6189 3.8375 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0517 4.7028 3.7506 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 2.9882 2.4622 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2703 3.5872 1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 4.4035 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3286 5.0447 0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 4.5677 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.7141 1.2239 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7509 1.6565 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3133 2.9615 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 3.9396 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0153 3.2764 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -0.4971 0.6783 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6947 -0.9586 1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -1.3144 -2.7617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -1.8475 -4.0253 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7276 -3.2795 -4.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -1.6983 -4.3749 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5282 -0.3890 -4.0676 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 0.4239 -5.1954 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2436 1.4408 -5.0296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1535 2.4942 -5.9394 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5339 2.6997 -6.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 1.8334 -6.3069 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 3.8384 -7.3233 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9697 4.1786 -7.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 3.6057 -8.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4935 2.3949 -7.3876 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1324 4.3525 -8.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3122 5.3538 -9.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 5.4229 -8.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 6.3982 -8.7920 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7947 2.1919 -7.0479 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8694 3.2651 -7.9198 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1797 1.9714 -6.4068 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5429 3.2059 -5.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 0.8877 -5.3510 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6971 1.2564 -4.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -2.7346 -3.5355 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1945 -2.5726 -3.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -5.3888 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5919 -6.1380 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 -5.5272 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -4.7332 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1904 -1.8897 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -2.9745 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 -2.5195 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0365 -2.2684 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 -3.1250 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6247 -4.0544 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -2.1611 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -5.3642 6.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 -7.0600 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 -5.8113 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4832 -5.0636 5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 -6.1848 5.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -6.8981 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 -4.4510 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -4.7124 6.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 -2.6789 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -1.9408 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.1888 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 0.9708 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.0006 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7063 -1.2322 5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1099 2.5194 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7365 3.0679 4.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4354 1.6679 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5994 3.2079 4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8940 3.8463 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 2.5703 4.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 4.7894 6.4362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 5.4118 6.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9081 4.0962 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 4.4593 3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2741 3.3129 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2316 5.5044 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 5.0736 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6107 1.2621 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 1.3747 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 4.9237 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0586 4.1301 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3865 3.5675 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -0.1952 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3728 -1.4668 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -1.2039 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2960 -3.6317 -5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4085 -3.9062 -3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 -3.3387 -4.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 -1.8601 -5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -0.1522 -6.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1304 3.4417 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 4.4988 -7.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 2.3181 -6.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 4.8247 -8.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6168 3.6559 -9.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0417 5.0602 -10.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 6.3210 -9.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5574 1.2502 -7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 4.0010 -7.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.7176 -7.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3641 3.1423 -5.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6604 0.0012 -5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1402 1.8900 -3.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5564 -3.7264 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -2.2654 -4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
19 21 1 0
21 22 1 0
9 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
29 28 1 6
29 30 2 0
29 31 1 0
29 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
34 36 1 0
36 37 2 0
36 38 1 0
27 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 2 0
40 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 2 0
24 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
53 55 2 0
51 56 1 0
56 57 1 0
6 58 1 0
58 59 1 0
59 60 1 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
66 67 2 0
66 68 1 0
68 69 1 0
69 70 2 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 2 0
65 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
78 80 1 0
80 81 1 0
61 82 1 0
82 83 1 0
82 5 1 0
56 8 1 0
80 63 1 0
21 12 1 0
46 26 1 0
74 69 1 0
1 84 1 0
1 85 1 0
1 86 1 0
4 87 1 0
5 88 1 1
6 89 1 1
8 90 1 6
9 91 1 6
10 92 1 0
10 93 1 0
12 94 1 6
14 95 1 1
15 96 1 0
15 97 1 0
16 98 1 0
17 99 1 1
18100 1 0
19101 1 6
20102 1 0
21103 1 6
22104 1 0
24105 1 6
26106 1 6
27107 1 6
31108 1 0
33109 1 0
33110 1 0
34111 1 6
35112 1 0
38113 1 0
40114 1 6
42115 1 0
42116 1 0
44117 1 1
45118 1 0
46119 1 6
49120 1 0
49121 1 0
51122 1 1
52123 1 0
54124 1 0
54125 1 0
54126 1 0
56127 1 6
57128 1 0
59129 1 6
60130 1 0
60131 1 0
60132 1 0
61133 1 6
63134 1 6
65135 1 1
68136 1 0
71137 1 0
72138 1 0
72139 1 0
73140 1 0
73141 1 0
76142 1 6
77143 1 0
78144 1 6
79145 1 0
80146 1 6
81147 1 0
82148 1 6
83149 1 0
M END
PDB for NP0021371 (Moenomycin H)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 -2.029 -5.327 0.185 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.732 -4.027 -0.479 0.00 0.00 C+0 HETATM 3 O UNK 0 -2.440 -3.036 -0.128 0.00 0.00 O+0 HETATM 4 N UNK 0 -0.711 -3.894 -1.455 0.00 0.00 N+0 HETATM 5 C UNK 0 -0.445 -2.618 -2.082 0.00 0.00 C+0 HETATM 6 C UNK 0 0.924 -2.147 -1.782 0.00 0.00 C+0 HETATM 7 O UNK 0 0.870 -1.321 -0.663 0.00 0.00 O+0 HETATM 8 C UNK 0 1.750 -1.638 0.318 0.00 0.00 C+0 HETATM 9 C UNK 0 1.001 -2.019 1.572 0.00 0.00 C+0 HETATM 10 C UNK 0 1.571 -3.267 2.186 0.00 0.00 C+0 HETATM 11 O UNK 0 0.884 -3.806 3.196 0.00 0.00 O+0 HETATM 12 C UNK 0 0.659 -3.175 4.362 0.00 0.00 C+0 HETATM 13 O UNK 0 1.269 -3.813 5.455 0.00 0.00 O+0 HETATM 14 C UNK 0 0.819 -5.079 5.702 0.00 0.00 C+0 HETATM 15 C UNK 0 1.802 -6.025 4.990 0.00 0.00 C+0 HETATM 16 O UNK 0 3.087 -5.825 5.511 0.00 0.00 O+0 HETATM 17 C UNK 0 -0.551 -5.381 5.168 0.00 0.00 C+0 HETATM 18 O UNK 0 -0.460 -5.907 3.861 0.00 0.00 O+0 HETATM 19 C UNK 0 -1.486 -4.220 5.179 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.896 -3.962 6.498 0.00 0.00 O+0 HETATM 21 C UNK 0 -0.834 -2.985 4.666 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.954 -1.917 5.559 0.00 0.00 O+0 HETATM 23 O UNK 0 0.911 -0.963 2.464 0.00 0.00 O+0 HETATM 24 C UNK 0 0.677 0.263 1.830 0.00 0.00 C+0 HETATM 25 O UNK 0 0.195 1.106 2.807 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.149 1.515 2.584 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.869 1.108 3.837 0.00 0.00 C+0 HETATM 28 O UNK 0 -3.056 1.775 4.072 0.00 0.00 O+0 HETATM 29 P UNK 0 -4.196 0.807 4.828 0.00 0.00 P+0 HETATM 30 O UNK 0 -4.278 1.174 6.319 0.00 0.00 O+0 HETATM 31 O UNK 0 -3.703 -0.812 4.681 0.00 0.00 O+0 HETATM 32 O UNK 0 -5.704 1.059 4.162 0.00 0.00 O+0 HETATM 33 C UNK 0 -5.865 2.324 3.611 0.00 0.00 C+0 HETATM 34 C UNK 0 -7.278 2.479 3.054 0.00 0.00 C+0 HETATM 35 O UNK 0 -8.215 2.312 4.106 0.00 0.00 O+0 HETATM 36 C UNK 0 -7.522 3.795 2.453 0.00 0.00 C+0 HETATM 37 O UNK 0 -8.392 4.568 2.889 0.00 0.00 O+0 HETATM 38 O UNK 0 -6.756 4.192 1.360 0.00 0.00 O+0 HETATM 39 O UNK 0 -1.023 1.449 4.902 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.459 2.683 4.850 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.625 3.318 6.206 0.00 0.00 C+0 HETATM 42 N UNK 0 -0.132 4.616 6.504 0.00 0.00 N+0 HETATM 43 O UNK 0 -1.215 2.720 7.152 0.00 0.00 O+0 HETATM 44 C UNK 0 -0.957 3.619 3.837 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.052 4.703 3.751 0.00 0.00 O+0 HETATM 46 C UNK 0 -1.176 2.988 2.462 0.00 0.00 C+0 HETATM 47 O UNK 0 -2.270 3.587 1.912 0.00 0.00 O+0 HETATM 48 C UNK 0 -2.241 4.404 0.823 0.00 0.00 C+0 HETATM 49 N UNK 0 -3.329 5.045 0.229 0.00 0.00 N+0 HETATM 50 O UNK 0 -1.101 4.568 0.341 0.00 0.00 O+0 HETATM 51 C UNK 0 1.966 0.714 1.224 0.00 0.00 C+0 HETATM 52 N UNK 0 1.751 1.657 0.132 0.00 0.00 N+0 HETATM 53 C UNK 0 2.313 2.962 0.139 0.00 0.00 C+0 HETATM 54 C UNK 0 2.121 3.940 -0.946 0.00 0.00 C+0 HETATM 55 O UNK 0 3.015 3.276 1.143 0.00 0.00 O+0 HETATM 56 C UNK 0 2.681 -0.497 0.678 0.00 0.00 C+0 HETATM 57 O UNK 0 3.695 -0.959 1.491 0.00 0.00 O+0 HETATM 58 O UNK 0 1.495 -1.314 -2.762 0.00 0.00 O+0 HETATM 59 C UNK 0 1.362 -1.847 -4.025 0.00 0.00 C+0 HETATM 60 C UNK 0 1.728 -3.280 -4.176 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.161 -1.698 -4.375 0.00 0.00 C+0 HETATM 62 O UNK 0 -0.528 -0.389 -4.068 0.00 0.00 O+0 HETATM 63 C UNK 0 -0.660 0.424 -5.195 0.00 0.00 C+0 HETATM 64 O UNK 0 0.244 1.441 -5.030 0.00 0.00 O+0 HETATM 65 C UNK 0 0.154 2.494 -5.939 0.00 0.00 C+0 HETATM 66 C UNK 0 1.534 2.700 -6.545 0.00 0.00 C+0 HETATM 67 O UNK 0 2.418 1.833 -6.307 0.00 0.00 O+0 HETATM 68 N UNK 0 1.745 3.838 -7.323 0.00 0.00 N+0 HETATM 69 C UNK 0 2.970 4.179 -7.961 0.00 0.00 C+0 HETATM 70 C UNK 0 4.132 3.606 -8.011 0.00 0.00 C+0 HETATM 71 O UNK 0 4.494 2.395 -7.388 0.00 0.00 O+0 HETATM 72 C UNK 0 5.132 4.353 -8.822 0.00 0.00 C+0 HETATM 73 C UNK 0 4.312 5.354 -9.563 0.00 0.00 C+0 HETATM 74 C UNK 0 3.083 5.423 -8.763 0.00 0.00 C+0 HETATM 75 O UNK 0 2.294 6.398 -8.792 0.00 0.00 O+0 HETATM 76 C UNK 0 -0.795 2.192 -7.048 0.00 0.00 C+0 HETATM 77 O UNK 0 -0.869 3.265 -7.920 0.00 0.00 O+0 HETATM 78 C UNK 0 -2.180 1.971 -6.407 0.00 0.00 C+0 HETATM 79 O UNK 0 -2.543 3.206 -5.855 0.00 0.00 O+0 HETATM 80 C UNK 0 -2.078 0.888 -5.351 0.00 0.00 C+0 HETATM 81 O UNK 0 -2.697 1.256 -4.177 0.00 0.00 O+0 HETATM 82 C UNK 0 -0.815 -2.735 -3.535 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.195 -2.573 -3.642 0.00 0.00 O+0 HETATM 84 H UNK 0 -1.620 -5.389 1.200 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.592 -6.138 -0.462 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.122 -5.527 0.225 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.156 -4.733 -1.717 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.190 -1.890 -1.639 0.00 0.00 H+0 HETATM 89 H UNK 0 1.625 -2.974 -1.545 0.00 0.00 H+0 HETATM 90 H UNK 0 2.363 -2.519 0.025 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.037 -2.268 1.263 0.00 0.00 H+0 HETATM 92 H UNK 0 2.680 -3.125 2.412 0.00 0.00 H+0 HETATM 93 H UNK 0 1.625 -4.054 1.363 0.00 0.00 H+0 HETATM 94 H UNK 0 1.102 -2.161 4.353 0.00 0.00 H+0 HETATM 95 H UNK 0 0.905 -5.364 6.778 0.00 0.00 H+0 HETATM 96 H UNK 0 1.523 -7.060 5.194 0.00 0.00 H+0 HETATM 97 H UNK 0 1.867 -5.811 3.912 0.00 0.00 H+0 HETATM 98 H UNK 0 3.483 -5.064 5.002 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.990 -6.185 5.827 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.396 -6.898 3.942 0.00 0.00 H+0 HETATM 101 H UNK 0 -2.392 -4.451 4.573 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.385 -4.712 6.903 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.311 -2.679 3.721 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.333 -1.941 6.305 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.079 0.189 1.052 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.433 0.971 1.671 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.989 -0.001 3.935 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.706 -1.232 5.581 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.110 2.519 2.842 0.00 0.00 H+0 HETATM 110 H UNK 0 -5.737 3.068 4.442 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.435 1.668 2.337 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.599 3.208 4.361 0.00 0.00 H+0 HETATM 113 H UNK 0 -6.894 3.846 0.418 0.00 0.00 H+0 HETATM 114 H UNK 0 0.662 2.570 4.746 0.00 0.00 H+0 HETATM 115 H UNK 0 0.892 4.789 6.436 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.735 5.412 6.791 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.908 4.096 4.214 0.00 0.00 H+0 HETATM 118 H UNK 0 0.648 4.459 3.070 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.274 3.313 1.855 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.232 5.504 -0.693 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.247 5.074 0.704 0.00 0.00 H+0 HETATM 122 H UNK 0 2.611 1.262 1.962 0.00 0.00 H+0 HETATM 123 H UNK 0 1.163 1.375 -0.694 0.00 0.00 H+0 HETATM 124 H UNK 0 1.803 4.924 -0.542 0.00 0.00 H+0 HETATM 125 H UNK 0 3.059 4.130 -1.519 0.00 0.00 H+0 HETATM 126 H UNK 0 1.387 3.567 -1.684 0.00 0.00 H+0 HETATM 127 H UNK 0 3.165 -0.195 -0.303 0.00 0.00 H+0 HETATM 128 H UNK 0 4.373 -1.467 0.976 0.00 0.00 H+0 HETATM 129 H UNK 0 1.872 -1.204 -4.741 0.00 0.00 H+0 HETATM 130 H UNK 0 1.296 -3.632 -5.156 0.00 0.00 H+0 HETATM 131 H UNK 0 1.409 -3.906 -3.344 0.00 0.00 H+0 HETATM 132 H UNK 0 2.841 -3.339 -4.308 0.00 0.00 H+0 HETATM 133 H UNK 0 -0.166 -1.860 -5.447 0.00 0.00 H+0 HETATM 134 H UNK 0 -0.422 -0.152 -6.131 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.130 3.442 -5.457 0.00 0.00 H+0 HETATM 136 H UNK 0 0.920 4.499 -7.423 0.00 0.00 H+0 HETATM 137 H UNK 0 5.248 2.318 -6.727 0.00 0.00 H+0 HETATM 138 H UNK 0 5.859 4.825 -8.120 0.00 0.00 H+0 HETATM 139 H UNK 0 5.617 3.656 -9.539 0.00 0.00 H+0 HETATM 140 H UNK 0 4.042 5.060 -10.600 0.00 0.00 H+0 HETATM 141 H UNK 0 4.870 6.321 -9.570 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.557 1.250 -7.589 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.417 4.001 -7.556 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.867 1.718 -7.212 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.364 3.142 -5.303 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.660 0.001 -5.740 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.140 1.890 -3.680 0.00 0.00 H+0 HETATM 148 H UNK 0 -0.556 -3.726 -3.962 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.485 -2.265 -4.527 0.00 0.00 H+0 CONECT 1 2 84 85 86 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 87 CONECT 5 4 6 82 88 CONECT 6 5 7 58 89 CONECT 7 6 8 CONECT 8 7 9 56 90 CONECT 9 8 10 23 91 CONECT 10 9 11 92 93 CONECT 11 10 12 CONECT 12 11 13 21 94 CONECT 13 12 14 CONECT 14 13 15 17 95 CONECT 15 14 16 96 97 CONECT 16 15 98 CONECT 17 14 18 19 99 CONECT 18 17 100 CONECT 19 17 20 21 101 CONECT 20 19 102 CONECT 21 19 22 12 103 CONECT 22 21 104 CONECT 23 9 24 CONECT 24 23 25 51 105 CONECT 25 24 26 CONECT 26 25 27 46 106 CONECT 27 26 28 39 107 CONECT 28 27 29 CONECT 29 28 30 31 32 CONECT 30 29 CONECT 31 29 108 CONECT 32 29 33 CONECT 33 32 34 109 110 CONECT 34 33 35 36 111 CONECT 35 34 112 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 113 CONECT 39 27 40 CONECT 40 39 41 44 114 CONECT 41 40 42 43 CONECT 42 41 115 116 CONECT 43 41 CONECT 44 40 45 46 117 CONECT 45 44 118 CONECT 46 44 47 26 119 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 120 121 CONECT 50 48 CONECT 51 24 52 56 122 CONECT 52 51 53 123 CONECT 53 52 54 55 CONECT 54 53 124 125 126 CONECT 55 53 CONECT 56 51 57 8 127 CONECT 57 56 128 CONECT 58 6 59 CONECT 59 58 60 61 129 CONECT 60 59 130 131 132 CONECT 61 59 62 82 133 CONECT 62 61 63 CONECT 63 62 64 80 134 CONECT 64 63 65 CONECT 65 64 66 76 135 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 136 CONECT 69 68 70 74 CONECT 70 69 71 72 CONECT 71 70 137 CONECT 72 70 73 138 139 CONECT 73 72 74 140 141 CONECT 74 73 75 69 CONECT 75 74 CONECT 76 65 77 78 142 CONECT 77 76 143 CONECT 78 76 79 80 144 CONECT 79 78 145 CONECT 80 78 81 63 146 CONECT 81 80 147 CONECT 82 61 83 5 148 CONECT 83 82 149 CONECT 84 1 CONECT 85 1 CONECT 86 1 CONECT 87 4 CONECT 88 5 CONECT 89 6 CONECT 90 8 CONECT 91 9 CONECT 92 10 CONECT 93 10 CONECT 94 12 CONECT 95 14 CONECT 96 15 CONECT 97 15 CONECT 98 16 CONECT 99 17 CONECT 100 18 CONECT 101 19 CONECT 102 20 CONECT 103 21 CONECT 104 22 CONECT 105 24 CONECT 106 26 CONECT 107 27 CONECT 108 31 CONECT 109 33 CONECT 110 33 CONECT 111 34 CONECT 112 35 CONECT 113 38 CONECT 114 40 CONECT 115 42 CONECT 116 42 CONECT 117 44 CONECT 118 45 CONECT 119 46 CONECT 120 49 CONECT 121 49 CONECT 122 51 CONECT 123 52 CONECT 124 54 CONECT 125 54 CONECT 126 54 CONECT 127 56 CONECT 128 57 CONECT 129 59 CONECT 130 60 CONECT 131 60 CONECT 132 60 CONECT 133 61 CONECT 134 63 CONECT 135 65 CONECT 136 68 CONECT 137 71 CONECT 138 72 CONECT 139 72 CONECT 140 73 CONECT 141 73 CONECT 142 76 CONECT 143 77 CONECT 144 78 CONECT 145 79 CONECT 146 80 CONECT 147 81 CONECT 148 82 CONECT 149 83 MASTER 0 0 0 0 0 0 0 0 149 0 308 0 END SMILES for NP0021371 (Moenomycin H)[H]OC(=O)[C@]([H])(O[H])C([H])([H])O[P@@](=O)(O[H])O[C@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@@]([H])(O[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H] INCHI for NP0021371 (Moenomycin H)InChI=1S/C43H66N5O34P/c1-9-29(76-41-27(62)24(59)25(60)33(79-41)36(65)48-17-12(52)4-5-13(17)53)21(56)18(46-10(2)50)38(73-9)77-30-16(8-71-40-26(61)23(58)20(55)15(6-49)74-40)75-39(19(22(30)57)47-11(3)51)80-34-31(81-43(45)68)28(63)32(35(44)64)78-42(34)82-83(69,70)72-7-14(54)37(66)67/h9,14-16,18-34,38-42,49,52,54-63H,4-8H2,1-3H3,(H2,44,64)(H2,45,68)(H,46,50)(H,47,51)(H,48,65)(H,66,67)(H,69,70)/t9-,14+,15+,16+,18+,19+,20-,21+,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,38-,39-,40+,41+,42-/m0/s1 3D Structure for NP0021371 (Moenomycin H) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C43H66N5O34P | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1227.9760 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1227.33268 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-3-[({[(2S,3R,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-hydroxypropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-3-({[(2S,3R,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-hydroxypropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1OC(OC2[C@H](O)C(NC(C)=O)C(OC3C(OP(O)(=O)OC[C@@H](O)C(O)=O)OC(C(O)[C@@H]3OC(N)=O)C(N)=O)OC2COC2OC(CO)C(O)C(O)C2O)C(NC(C)=O)[C@@H](O)C1O[C@@H]1OC([C@H](O)C(O)C1O)C(=O)NC1=C(O)CCC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C43H66N5O34P/c1-9-29(76-41-27(62)24(59)25(60)33(79-41)36(65)48-17-12(52)4-5-13(17)53)21(56)18(46-10(2)50)38(73-9)77-30-16(8-71-40-26(61)23(58)20(55)15(6-49)74-40)75-39(19(22(30)57)47-11(3)51)80-34-31(81-43(45)68)28(63)32(35(44)64)78-42(34)82-83(69,70)72-7-14(54)37(66)67/h9,14-16,18-34,38-42,49,52,54-63H,4-8H2,1-3H3,(H2,44,64)(H2,45,68)(H,46,50)(H,47,51)(H,48,65)(H,66,67)(H,69,70)/t9?,14-,15?,16?,18?,19?,20?,21-,22-,23?,24?,25-,26?,27?,28?,29?,30?,31+,32?,33?,34?,38?,39?,40?,41-,42?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AYPBINFDHGMDSL-JHNAURKQSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic oxygen compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Organooxygen compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Carbohydrates and carbohydrate conjugates | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligosaccharides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA005192 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445769 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139584542 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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