Showing NP-Card for Streptobactin (NP0010451)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:57:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:06:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010451 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Streptobactin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Streptobactin is found in Streptomyces sp. YM5-799. Streptobactin was first documented in 2011 (PMID: 22014204). Based on a literature review very few articles have been published on Streptobactin. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010451 (Streptobactin)
Mrv1652307012121323D
153156 0 0 0 0 999 V2000
-1.6426 -1.6641 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4048 -1.0438 1.3097 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5877 0.0748 1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0499 1.3548 1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 2.0179 2.6829 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 2.0390 0.4634 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4368 3.4605 0.3367 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 4.3444 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 3.8239 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2974 5.7809 -0.3333 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7972 6.6525 0.7200 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4683 6.8094 2.0178 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8819 7.2668 1.8894 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4801 7.5809 3.2141 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5631 8.8211 3.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1012 9.8084 2.6164 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 9.2527 4.7311 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4659 6.3143 -1.0805 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3611 6.5920 -2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1703 6.3481 -2.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8206 1.9324 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8243 2.7656 -2.1376 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 0.5033 -1.7480 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.1328 1.0178 2.4150 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6019 0.8527 2.2748 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1010 1.9676 1.4559 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3560 2.0833 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2439 1.1089 1.6978 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 3.1651 0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5897 -0.6817 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3597 0.0425 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8732 1.1387 -1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 -0.3253 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3185 0.5407 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.6030 -1.7518 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2132 -2.9352 -1.1699 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6847 -2.0537 0.4226 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8257 -3.4193 0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
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-4.7397 10.0645 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2030 10.3027 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6464 9.9755 5.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0338 8.7926 5.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3173 6.4660 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 7.0227 -4.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3487 7.8825 -6.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6782 8.4423 -6.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1433 8.1302 -2.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2693 0.3305 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 1.7059 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6638 3.0168 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4588 1.4576 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 0.5146 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 0.5224 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -1.0663 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7155 1.8579 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 1.3586 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 0.1942 3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.9932 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9493 -0.0984 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1063 1.0112 3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1297 0.1305 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0001 1.4180 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1521 3.9729 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7306 3.1205 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9508 -1.5602 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8143 1.4420 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0911 0.8901 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2457 -1.1553 -2.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1508 -3.1652 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2353 -3.2117 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 -0.3855 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -2.5454 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -0.9789 -4.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 -1.5624 -3.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2040 -2.0112 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1638 -3.6894 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 -5.6426 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0932 -6.3729 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4010 -6.9683 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2113 -8.6917 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -7.9444 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 -8.4201 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3219 -9.8181 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 -10.4625 3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3554 -9.0314 3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
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71 72 1 0 0 0 0
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27 21 1 0 0 0 0
55 49 1 0 0 0 0
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M END
3D MOL for NP0010451 (Streptobactin)
RDKit 3D
153156 0 0 0 0 0 0 0 0999 V2000
-1.6426 -1.6641 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4048 -1.0438 1.3097 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5877 0.0748 1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0499 1.3548 1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 2.0179 2.6829 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 2.0390 0.4634 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4368 3.4605 0.3367 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 4.3444 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 3.8239 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2974 5.7809 -0.3333 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7972 6.6525 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4683 6.8094 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8819 7.2668 1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4801 7.5809 3.2141 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5631 8.8211 3.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1012 9.8084 2.6164 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 9.2527 4.7311 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4659 6.3143 -1.0805 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3611 6.5920 -2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1703 6.3481 -2.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3022 7.0897 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 7.2707 -4.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6865 7.7414 -5.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9770 8.0593 -5.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4566 7.9072 -4.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7676 8.2228 -3.8452 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6170 7.4182 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2110 7.3157 -1.9454 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0167 1.3778 -0.8101 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8206 1.9324 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2949 1.7791 -0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 1.7385 -1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 2.7656 -2.1376 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 0.5033 -1.7480 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0297 0.3394 -0.5937 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3740 -0.0701 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2888 -0.2693 0.3956 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3163 0.9908 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1328 1.0178 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6019 0.8527 2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1010 1.9676 1.4559 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3560 2.0833 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2439 1.1089 1.6978 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 3.1651 0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5897 -0.6817 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3597 0.0425 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8732 1.1387 -1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 -0.3253 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3185 0.5407 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5698 0.2244 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2403 -0.9241 -2.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6030 -1.7518 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2132 -2.9352 -1.1699 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3323 -1.4676 -1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7741 -2.3735 -0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -0.7166 -1.9311 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6998 -1.5230 -3.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3836 -1.5906 -0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7060 -1.6597 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2805 -1.3665 1.4143 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8257 -3.4193 0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.8131 0.5146 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 0.5224 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -1.0663 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7155 1.8579 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 1.3586 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 0.1942 3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.9932 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9493 -0.0984 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1063 1.0112 3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1297 0.1305 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0001 1.4180 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1521 3.9729 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.9508 -1.5602 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8143 1.4420 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0911 0.8901 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 3
15 16 1 0
15 17 1 0
10 18 1 0
18 19 1 0
19 20 2 0
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22 23 1 0
23 24 2 0
24 25 1 0
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27 28 1 0
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32 34 1 0
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39 40 1 0
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42 43 2 3
43 44 1 0
43 45 1 0
38 46 1 0
46 47 1 0
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50 51 1 0
51 52 2 0
52 53 1 0
53 54 1 0
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55 56 1 0
34 57 1 0
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62 2 1 0
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27 21 1 0
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2 88 1 6
6 89 1 6
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10 91 1 6
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17100 1 0
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22103 1 0
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24105 1 0
26106 1 0
28107 1 0
29108 1 1
30109 1 0
30110 1 0
30111 1 0
34112 1 6
35113 1 0
38114 1 1
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40117 1 0
40118 1 0
41119 1 0
41120 1 0
44121 1 0
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78149 1 0
79150 1 0
80151 1 0
82152 1 0
84153 1 0
M END
3D SDF for NP0010451 (Streptobactin)
Mrv1652307012121323D
153156 0 0 0 0 999 V2000
-1.6426 -1.6641 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6084 3.8239 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7972 6.6525 0.7200 C 0 0 2 0 0 0 0 0 0 0 0 0
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-4.1012 9.8084 2.6164 N 0 0 0 0 0 0 0 0 0 0 0 0
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6.1328 1.0178 2.4150 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6019 0.8527 2.2748 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1010 1.9676 1.4559 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3560 2.0833 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2439 1.1089 1.6978 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 3.1651 0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5897 -0.6817 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3597 0.0425 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8732 1.1387 -1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.3185 0.5407 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
27 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 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
42 43 2 3 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
38 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 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
55 56 1 0 0 0 0
34 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 2 3 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
66 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 2 0 0 0 0
83 84 1 0 0 0 0
62 2 1 0 0 0 0
83 77 1 0 0 0 0
27 21 1 0 0 0 0
55 49 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
2 88 1 6 0 0 0
6 89 1 6 0 0 0
7 90 1 0 0 0 0
10 91 1 6 0 0 0
11 92 1 0 0 0 0
11 93 1 0 0 0 0
12 94 1 0 0 0 0
12 95 1 0 0 0 0
13 96 1 0 0 0 0
13 97 1 0 0 0 0
16 98 1 0 0 0 0
16 99 1 0 0 0 0
17100 1 0 0 0 0
17101 1 0 0 0 0
18102 1 0 0 0 0
22103 1 0 0 0 0
23104 1 0 0 0 0
24105 1 0 0 0 0
26106 1 0 0 0 0
28107 1 0 0 0 0
29108 1 1 0 0 0
30109 1 0 0 0 0
30110 1 0 0 0 0
30111 1 0 0 0 0
34112 1 6 0 0 0
35113 1 0 0 0 0
38114 1 1 0 0 0
39115 1 0 0 0 0
39116 1 0 0 0 0
40117 1 0 0 0 0
40118 1 0 0 0 0
41119 1 0 0 0 0
41120 1 0 0 0 0
44121 1 0 0 0 0
44122 1 0 0 0 0
45123 1 0 0 0 0
45124 1 0 0 0 0
46125 1 0 0 0 0
50126 1 0 0 0 0
51127 1 0 0 0 0
52128 1 0 0 0 0
54129 1 0 0 0 0
56130 1 0 0 0 0
57131 1 6 0 0 0
58132 1 0 0 0 0
58133 1 0 0 0 0
58134 1 0 0 0 0
62135 1 6 0 0 0
63136 1 0 0 0 0
66137 1 1 0 0 0
67138 1 0 0 0 0
67139 1 0 0 0 0
68140 1 0 0 0 0
68141 1 0 0 0 0
69142 1 0 0 0 0
69143 1 0 0 0 0
72144 1 0 0 0 0
72145 1 0 0 0 0
73146 1 0 0 0 0
73147 1 0 0 0 0
74148 1 0 0 0 0
78149 1 0 0 0 0
79150 1 0 0 0 0
80151 1 0 0 0 0
82152 1 0 0 0 0
84153 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010451
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C(O[H])C(=C([H])C([H])=C1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C2=C([H])C([H])=C([H])C(O[H])=C2O[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C2=C([H])C([H])=C([H])C(O[H])=C2O[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)O[C@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C51H69N15O18/c1-22-34(64-43(76)28(13-7-19-58-49(52)53)61-40(73)25-10-4-16-31(67)37(25)70)46(79)83-24(3)36(66-45(78)30(15-9-21-60-51(56)57)63-42(75)27-12-6-18-33(69)39(27)72)48(81)84-23(2)35(47(80)82-22)65-44(77)29(14-8-20-59-50(54)55)62-41(74)26-11-5-17-32(68)38(26)71/h4-6,10-12,16-18,22-24,28-30,34-36,67-72H,7-9,13-15,19-21H2,1-3H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35+,36+/m1/s1
> <INCHI_KEY>
WLSGYSOOUFLHHA-XKCQZYHGSA-N
> <FORMULA>
C51H69N15O18
> <MOLECULAR_WEIGHT>
1180.2
> <EXACT_MASS>
1179.494500442
> <JCHEM_ACCEPTOR_COUNT>
24
> <JCHEM_ATOM_COUNT>
153
> <JCHEM_AVERAGE_POLARIZABILITY>
118.67947676800483
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
18
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-N-[(2R,3S,6R,7S,10R,11S)-7,11-bis[(2S)-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamido]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamide
> <ALOGPS_LOGP>
0.40
> <JCHEM_LOGP>
-1.872892747668926
> <ALOGPS_LOGS>
-4.31
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
3
> <JCHEM_PKA>
8.307418816399432
> <JCHEM_PKA_STRONGEST_ACIDIC>
7.830160142547632
> <JCHEM_PKA_STRONGEST_BASIC>
11.14905214456605
> <JCHEM_POLAR_SURFACE_AREA>
568.0799999999999
> <JCHEM_REFRACTIVITY>
292.4223
> <JCHEM_ROTATABLE_BOND_COUNT>
24
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.83e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(2R,3S,6R,7S,10R,11S)-7,11-bis[(2S)-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamido]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010451 (Streptobactin)
RDKit 3D
153156 0 0 0 0 0 0 0 0999 V2000
-1.6426 -1.6641 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4048 -1.0438 1.3097 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5877 0.0748 1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0499 1.3548 1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 2.0179 2.6829 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 2.0390 0.4634 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4368 3.4605 0.3367 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 4.3444 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 3.8239 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2974 5.7809 -0.3333 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7972 6.6525 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4683 6.8094 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8819 7.2668 1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4801 7.5809 3.2141 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5631 8.8211 3.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1012 9.8084 2.6164 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 9.2527 4.7311 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4659 6.3143 -1.0805 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3611 6.5920 -2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1703 6.3481 -2.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3022 7.0897 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 7.2707 -4.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6865 7.7414 -5.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9770 8.0593 -5.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4566 7.9072 -4.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7676 8.2228 -3.8452 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6170 7.4182 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2110 7.3157 -1.9454 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0167 1.3778 -0.8101 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8206 1.9324 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2949 1.7791 -0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 1.7385 -1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 2.7656 -2.1376 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 0.5033 -1.7480 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0297 0.3394 -0.5937 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3740 -0.0701 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7925 -0.2663 -1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2888 -0.2693 0.3956 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3163 0.9908 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1328 1.0178 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6019 0.8527 2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1010 1.9676 1.4559 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3560 2.0833 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2439 1.1089 1.6978 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 3.1651 0.3875 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5897 -0.6817 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3597 0.0425 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8732 1.1387 -1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6682 -0.3253 -1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3185 0.5407 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5698 0.2244 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2403 -0.9241 -2.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6030 -1.7518 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2132 -2.9352 -1.1699 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3323 -1.4676 -1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7741 -2.3735 -0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -0.7166 -1.9311 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6998 -1.5230 -3.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3836 -1.5906 -0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7060 -1.6597 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2805 -1.3665 1.4143 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6847 -2.0537 0.4226 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8257 -3.4193 0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7658 -4.3658 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5625 -4.0849 -0.4502 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7124 -5.7177 1.0770 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9566 -6.7412 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 -8.0554 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8124 -8.8287 1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9134 -9.2972 0.7727 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9386 -9.7521 1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8696 -9.7414 2.8619 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0946 -10.2250 0.8000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1391 -6.1917 1.1349 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8676 -6.4445 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 -6.2937 -1.1849 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2498 -6.8762 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8485 -7.1349 -1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1251 -7.5540 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9100 -7.7433 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3067 -7.4815 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1180 -7.6758 2.0559 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0280 -7.0651 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4923 -6.8319 2.3102 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 -0.7996 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6407 -2.1403 2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7980 -2.2886 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -0.8326 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7597 1.8238 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4838 3.8057 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 5.8027 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 7.6879 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 6.3645 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9478 7.5953 2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4521 5.8934 2.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4886 6.3540 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0564 8.1152 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7397 10.0645 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2030 10.3027 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6464 9.9755 5.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0338 8.7926 5.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3173 6.4660 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 7.0227 -4.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3487 7.8825 -6.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6782 8.4423 -6.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1433 8.1302 -2.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1608 7.1097 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2693 0.3305 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 1.7059 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6638 3.0168 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4588 1.4576 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 0.5146 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 0.5224 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -1.0663 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7155 1.8579 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 1.3586 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 0.1942 3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.9932 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9493 -0.0984 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1063 1.0112 3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1297 0.1305 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0001 1.4180 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1521 3.9729 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7306 3.1205 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9508 -1.5602 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8143 1.4420 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0911 0.8901 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2457 -1.1553 -2.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1508 -3.1652 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2353 -3.2117 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 -0.3855 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -2.5454 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -0.9789 -4.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 -1.5624 -3.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2040 -2.0112 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1638 -3.6894 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 -5.6426 2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0932 -6.3729 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4010 -6.9683 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2113 -8.6917 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0669 -7.9444 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 -8.4201 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3219 -9.8181 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 -10.4625 3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3554 -9.0314 3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1688 -10.3883 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9439 -10.4295 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5215 -6.3131 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2075 -6.9826 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5998 -7.7655 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9270 -8.0782 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7917 -7.5240 2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0506 -6.9755 3.1188 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
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 3
15 16 1 0
15 17 1 0
10 18 1 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 1 0
25 27 2 0
27 28 1 0
6 29 1 0
29 30 1 0
29 31 1 0
31 32 1 0
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 2 3
43 44 1 0
43 45 1 0
38 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
49 50 2 0
50 51 1 0
51 52 2 0
52 53 1 0
53 54 1 0
53 55 2 0
55 56 1 0
34 57 1 0
57 58 1 0
57 59 1 0
59 60 1 0
60 61 2 0
60 62 1 0
62 63 1 0
63 64 1 0
64 65 2 0
64 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 2 3
71 72 1 0
71 73 1 0
66 74 1 0
74 75 1 0
75 76 2 0
75 77 1 0
77 78 2 0
78 79 1 0
79 80 2 0
80 81 1 0
81 82 1 0
81 83 2 0
83 84 1 0
62 2 1 0
83 77 1 0
27 21 1 0
55 49 1 0
1 85 1 0
1 86 1 0
1 87 1 0
2 88 1 6
6 89 1 6
7 90 1 0
10 91 1 6
11 92 1 0
11 93 1 0
12 94 1 0
12 95 1 0
13 96 1 0
13 97 1 0
16 98 1 0
16 99 1 0
17100 1 0
17101 1 0
18102 1 0
22103 1 0
23104 1 0
24105 1 0
26106 1 0
28107 1 0
29108 1 1
30109 1 0
30110 1 0
30111 1 0
34112 1 6
35113 1 0
38114 1 1
39115 1 0
39116 1 0
40117 1 0
40118 1 0
41119 1 0
41120 1 0
44121 1 0
44122 1 0
45123 1 0
45124 1 0
46125 1 0
50126 1 0
51127 1 0
52128 1 0
54129 1 0
56130 1 0
57131 1 6
58132 1 0
58133 1 0
58134 1 0
62135 1 6
63136 1 0
66137 1 1
67138 1 0
67139 1 0
68140 1 0
68141 1 0
69142 1 0
69143 1 0
72144 1 0
72145 1 0
73146 1 0
73147 1 0
74148 1 0
78149 1 0
79150 1 0
80151 1 0
82152 1 0
84153 1 0
M END
PDB for NP0010451 (Streptobactin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -1.643 -1.664 2.696 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.405 -1.044 1.310 0.00 0.00 C+0 HETATM 3 O UNK 0 -0.588 0.075 1.483 0.00 0.00 O+0 HETATM 4 C UNK 0 -1.050 1.355 1.581 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.939 2.018 2.683 0.00 0.00 O+0 HETATM 6 C UNK 0 -1.687 2.039 0.463 0.00 0.00 C+0 HETATM 7 N UNK 0 -1.437 3.461 0.337 0.00 0.00 N+0 HETATM 8 C UNK 0 -2.459 4.344 -0.097 0.00 0.00 C+0 HETATM 9 O UNK 0 -3.608 3.824 -0.312 0.00 0.00 O+0 HETATM 10 C UNK 0 -2.297 5.781 -0.333 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.797 6.652 0.720 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.468 6.809 2.018 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.882 7.267 1.889 0.00 0.00 C+0 HETATM 14 N UNK 0 -4.480 7.581 3.214 0.00 0.00 N+0 HETATM 15 C UNK 0 -4.563 8.821 3.511 0.00 0.00 C+0 HETATM 16 N UNK 0 -4.101 9.808 2.616 0.00 0.00 N+0 HETATM 17 N UNK 0 -5.120 9.253 4.731 0.00 0.00 N+0 HETATM 18 N UNK 0 -3.466 6.314 -1.081 0.00 0.00 N+0 HETATM 19 C UNK 0 -3.361 6.592 -2.446 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.170 6.348 -2.925 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.302 7.090 -3.406 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.877 7.271 -4.729 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.686 7.741 -5.722 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.977 8.059 -5.444 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.457 7.907 -4.175 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.768 8.223 -3.845 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.617 7.418 -3.144 0.00 0.00 C+0 HETATM 28 O UNK 0 -6.211 7.316 -1.945 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.017 1.378 -0.810 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.821 1.932 -1.983 0.00 0.00 C+0 HETATM 31 O UNK 0 0.295 1.779 -0.762 0.00 0.00 O+0 HETATM 32 C UNK 0 1.378 1.738 -1.532 0.00 0.00 C+0 HETATM 33 O UNK 0 1.824 2.766 -2.138 0.00 0.00 O+0 HETATM 34 C UNK 0 2.162 0.503 -1.748 0.00 0.00 C+0 HETATM 35 N UNK 0 3.030 0.339 -0.594 0.00 0.00 N+0 HETATM 36 C UNK 0 4.374 -0.070 -0.795 0.00 0.00 C+0 HETATM 37 O UNK 0 4.793 -0.266 -1.954 0.00 0.00 O+0 HETATM 38 C UNK 0 5.289 -0.269 0.396 0.00 0.00 C+0 HETATM 39 C UNK 0 5.316 0.991 1.173 0.00 0.00 C+0 HETATM 40 C UNK 0 6.133 1.018 2.415 0.00 0.00 C+0 HETATM 41 C UNK 0 7.602 0.853 2.275 0.00 0.00 C+0 HETATM 42 N UNK 0 8.101 1.968 1.456 0.00 0.00 N+0 HETATM 43 C UNK 0 9.356 2.083 1.186 0.00 0.00 C+0 HETATM 44 N UNK 0 10.244 1.109 1.698 0.00 0.00 N+0 HETATM 45 N UNK 0 9.777 3.165 0.388 0.00 0.00 N+0 HETATM 46 N UNK 0 6.590 -0.682 -0.045 0.00 0.00 N+0 HETATM 47 C UNK 0 7.360 0.043 -0.981 0.00 0.00 C+0 HETATM 48 O UNK 0 6.873 1.139 -1.451 0.00 0.00 O+0 HETATM 49 C UNK 0 8.668 -0.325 -1.483 0.00 0.00 C+0 HETATM 50 C UNK 0 9.319 0.541 -2.377 0.00 0.00 C+0 HETATM 51 C UNK 0 10.570 0.224 -2.836 0.00 0.00 C+0 HETATM 52 C UNK 0 11.240 -0.924 -2.459 0.00 0.00 C+0 HETATM 53 C UNK 0 10.603 -1.752 -1.599 0.00 0.00 C+0 HETATM 54 O UNK 0 11.213 -2.935 -1.170 0.00 0.00 O+0 HETATM 55 C UNK 0 9.332 -1.468 -1.110 0.00 0.00 C+0 HETATM 56 O UNK 0 8.774 -2.373 -0.245 0.00 0.00 O+0 HETATM 57 C UNK 0 1.271 -0.717 -1.931 0.00 0.00 C+0 HETATM 58 C UNK 0 1.700 -1.523 -3.170 0.00 0.00 C+0 HETATM 59 O UNK 0 1.384 -1.591 -0.852 0.00 0.00 O+0 HETATM 60 C UNK 0 0.706 -1.660 0.295 0.00 0.00 C+0 HETATM 61 O UNK 0 1.281 -1.367 1.414 0.00 0.00 O+0 HETATM 62 C UNK 0 -0.685 -2.054 0.423 0.00 0.00 C+0 HETATM 63 N UNK 0 -0.826 -3.419 0.898 0.00 0.00 N+0 HETATM 64 C UNK 0 -1.766 -4.366 0.425 0.00 0.00 C+0 HETATM 65 O UNK 0 -2.563 -4.085 -0.450 0.00 0.00 O+0 HETATM 66 C UNK 0 -1.712 -5.718 1.077 0.00 0.00 C+0 HETATM 67 C UNK 0 -0.957 -6.741 0.314 0.00 0.00 C+0 HETATM 68 C UNK 0 -0.730 -8.055 0.991 0.00 0.00 C+0 HETATM 69 C UNK 0 -1.812 -8.829 1.557 0.00 0.00 C+0 HETATM 70 N UNK 0 -2.913 -9.297 0.773 0.00 0.00 N+0 HETATM 71 C UNK 0 -3.939 -9.752 1.455 0.00 0.00 C+0 HETATM 72 N UNK 0 -3.870 -9.741 2.862 0.00 0.00 N+0 HETATM 73 N UNK 0 -5.095 -10.225 0.800 0.00 0.00 N+0 HETATM 74 N UNK 0 -3.139 -6.192 1.135 0.00 0.00 N+0 HETATM 75 C UNK 0 -3.868 -6.444 -0.024 0.00 0.00 C+0 HETATM 76 O UNK 0 -3.294 -6.294 -1.185 0.00 0.00 O+0 HETATM 77 C UNK 0 -5.250 -6.876 -0.091 0.00 0.00 C+0 HETATM 78 C UNK 0 -5.848 -7.135 -1.320 0.00 0.00 C+0 HETATM 79 C UNK 0 -7.125 -7.554 -1.457 0.00 0.00 C+0 HETATM 80 C UNK 0 -7.910 -7.743 -0.320 0.00 0.00 C+0 HETATM 81 C UNK 0 -7.307 -7.481 0.914 0.00 0.00 C+0 HETATM 82 O UNK 0 -8.118 -7.676 2.056 0.00 0.00 O+0 HETATM 83 C UNK 0 -6.028 -7.065 1.050 0.00 0.00 C+0 HETATM 84 O UNK 0 -5.492 -6.832 2.310 0.00 0.00 O+0 HETATM 85 H UNK 0 -1.642 -0.800 3.405 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.641 -2.140 2.758 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.798 -2.289 2.968 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.423 -0.833 0.936 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.760 1.824 0.387 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.484 3.806 0.575 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.479 5.803 -1.171 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.617 7.688 0.247 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.710 6.364 0.945 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.948 7.595 2.654 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.452 5.893 2.648 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.489 6.354 1.609 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.056 8.115 1.231 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.740 10.065 1.801 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.203 10.303 2.679 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.646 9.976 5.283 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.034 8.793 5.015 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.317 6.466 -0.557 0.00 0.00 H+0 HETATM 103 H UNK 0 -2.851 7.023 -4.953 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.349 7.883 -6.745 0.00 0.00 H+0 HETATM 105 H UNK 0 -6.678 8.442 -6.197 0.00 0.00 H+0 HETATM 106 H UNK 0 -8.143 8.130 -2.916 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.161 7.110 -1.056 0.00 0.00 H+0 HETATM 108 H UNK 0 -1.269 0.331 -0.761 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.866 1.706 -1.785 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.664 3.017 -2.002 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.459 1.458 -2.941 0.00 0.00 H+0 HETATM 112 H UNK 0 2.813 0.515 -2.643 0.00 0.00 H+0 HETATM 113 H UNK 0 2.739 0.522 0.375 0.00 0.00 H+0 HETATM 114 H UNK 0 4.799 -1.066 1.017 0.00 0.00 H+0 HETATM 115 H UNK 0 5.715 1.858 0.533 0.00 0.00 H+0 HETATM 116 H UNK 0 4.288 1.359 1.435 0.00 0.00 H+0 HETATM 117 H UNK 0 5.755 0.194 3.089 0.00 0.00 H+0 HETATM 118 H UNK 0 5.964 1.993 2.962 0.00 0.00 H+0 HETATM 119 H UNK 0 7.949 -0.098 1.870 0.00 0.00 H+0 HETATM 120 H UNK 0 8.106 1.011 3.279 0.00 0.00 H+0 HETATM 121 H UNK 0 10.130 0.131 1.398 0.00 0.00 H+0 HETATM 122 H UNK 0 11.000 1.418 2.377 0.00 0.00 H+0 HETATM 123 H UNK 0 9.152 3.973 0.237 0.00 0.00 H+0 HETATM 124 H UNK 0 10.731 3.120 -0.042 0.00 0.00 H+0 HETATM 125 H UNK 0 6.951 -1.560 0.360 0.00 0.00 H+0 HETATM 126 H UNK 0 8.814 1.442 -2.687 0.00 0.00 H+0 HETATM 127 H UNK 0 11.091 0.890 -3.530 0.00 0.00 H+0 HETATM 128 H UNK 0 12.246 -1.155 -2.837 0.00 0.00 H+0 HETATM 129 H UNK 0 12.151 -3.165 -1.532 0.00 0.00 H+0 HETATM 130 H UNK 0 9.235 -3.212 0.041 0.00 0.00 H+0 HETATM 131 H UNK 0 0.256 -0.386 -2.185 0.00 0.00 H+0 HETATM 132 H UNK 0 1.287 -2.545 -3.104 0.00 0.00 H+0 HETATM 133 H UNK 0 1.403 -0.979 -4.099 0.00 0.00 H+0 HETATM 134 H UNK 0 2.796 -1.562 -3.173 0.00 0.00 H+0 HETATM 135 H UNK 0 -1.204 -2.011 -0.548 0.00 0.00 H+0 HETATM 136 H UNK 0 -0.164 -3.689 1.647 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.371 -5.643 2.113 0.00 0.00 H+0 HETATM 138 H UNK 0 0.093 -6.373 0.065 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.401 -6.968 -0.670 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.211 -8.692 0.192 0.00 0.00 H+0 HETATM 141 H UNK 0 0.067 -7.944 1.806 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.169 -8.420 2.555 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.322 -9.818 1.929 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.304 -10.463 3.386 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.355 -9.031 3.442 0.00 0.00 H+0 HETATM 146 H UNK 0 -5.169 -10.388 -0.227 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.944 -10.430 1.381 0.00 0.00 H+0 HETATM 148 H UNK 0 -3.522 -6.313 2.101 0.00 0.00 H+0 HETATM 149 H UNK 0 -5.207 -6.983 -2.214 0.00 0.00 H+0 HETATM 150 H UNK 0 -7.600 -7.766 -2.408 0.00 0.00 H+0 HETATM 151 H UNK 0 -8.927 -8.078 -0.338 0.00 0.00 H+0 HETATM 152 H UNK 0 -7.792 -7.524 2.962 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.051 -6.976 3.119 0.00 0.00 H+0 CONECT 1 2 85 86 87 CONECT 2 1 3 62 88 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 29 89 CONECT 7 6 8 90 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 18 91 CONECT 11 10 12 92 93 CONECT 12 11 13 94 95 CONECT 13 12 14 96 97 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 98 99 CONECT 17 15 100 101 CONECT 18 10 19 102 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 27 CONECT 22 21 23 103 CONECT 23 22 24 104 CONECT 24 23 25 105 CONECT 25 24 26 27 CONECT 26 25 106 CONECT 27 25 28 21 CONECT 28 27 107 CONECT 29 6 30 31 108 CONECT 30 29 109 110 111 CONECT 31 29 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 57 112 CONECT 35 34 36 113 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 46 114 CONECT 39 38 40 115 116 CONECT 40 39 41 117 118 CONECT 41 40 42 119 120 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 121 122 CONECT 45 43 123 124 CONECT 46 38 47 125 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 55 CONECT 50 49 51 126 CONECT 51 50 52 127 CONECT 52 51 53 128 CONECT 53 52 54 55 CONECT 54 53 129 CONECT 55 53 56 49 CONECT 56 55 130 CONECT 57 34 58 59 131 CONECT 58 57 132 133 134 CONECT 59 57 60 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 2 135 CONECT 63 62 64 136 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 67 74 137 CONECT 67 66 68 138 139 CONECT 68 67 69 140 141 CONECT 69 68 70 142 143 CONECT 70 69 71 CONECT 71 70 72 73 CONECT 72 71 144 145 CONECT 73 71 146 147 CONECT 74 66 75 148 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 78 83 CONECT 78 77 79 149 CONECT 79 78 80 150 CONECT 80 79 81 151 CONECT 81 80 82 83 CONECT 82 81 152 CONECT 83 81 84 77 CONECT 84 83 153 CONECT 85 1 CONECT 86 1 CONECT 87 1 CONECT 88 2 CONECT 89 6 CONECT 90 7 CONECT 91 10 CONECT 92 11 CONECT 93 11 CONECT 94 12 CONECT 95 12 CONECT 96 13 CONECT 97 13 CONECT 98 16 CONECT 99 16 CONECT 100 17 CONECT 101 17 CONECT 102 18 CONECT 103 22 CONECT 104 23 CONECT 105 24 CONECT 106 26 CONECT 107 28 CONECT 108 29 CONECT 109 30 CONECT 110 30 CONECT 111 30 CONECT 112 34 CONECT 113 35 CONECT 114 38 CONECT 115 39 CONECT 116 39 CONECT 117 40 CONECT 118 40 CONECT 119 41 CONECT 120 41 CONECT 121 44 CONECT 122 44 CONECT 123 45 CONECT 124 45 CONECT 125 46 CONECT 126 50 CONECT 127 51 CONECT 128 52 CONECT 129 54 CONECT 130 56 CONECT 131 57 CONECT 132 58 CONECT 133 58 CONECT 134 58 CONECT 135 62 CONECT 136 63 CONECT 137 66 CONECT 138 67 CONECT 139 67 CONECT 140 68 CONECT 141 68 CONECT 142 69 CONECT 143 69 CONECT 144 72 CONECT 145 72 CONECT 146 73 CONECT 147 73 CONECT 148 74 CONECT 149 78 CONECT 150 79 CONECT 151 80 CONECT 152 82 CONECT 153 84 MASTER 0 0 0 0 0 0 0 0 153 0 312 0 END SMILES for NP0010451 (Streptobactin)[H]OC1=C(O[H])C(=C([H])C([H])=C1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C2=C([H])C([H])=C([H])C(O[H])=C2O[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C2=C([H])C([H])=C([H])C(O[H])=C2O[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C(=O)O[C@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H] INCHI for NP0010451 (Streptobactin)InChI=1S/C51H69N15O18/c1-22-34(64-43(76)28(13-7-19-58-49(52)53)61-40(73)25-10-4-16-31(67)37(25)70)46(79)83-24(3)36(66-45(78)30(15-9-21-60-51(56)57)63-42(75)27-12-6-18-33(69)39(27)72)48(81)84-23(2)35(47(80)82-22)65-44(77)29(14-8-20-59-50(54)55)62-41(74)26-11-5-17-32(68)38(26)71/h4-6,10-12,16-18,22-24,28-30,34-36,67-72H,7-9,13-15,19-21H2,1-3H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35+,36+/m1/s1 3D Structure for NP0010451 (Streptobactin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C51H69N15O18 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1180.2000 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1179.49450 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-N-[(2R,3S,6R,7S,10R,11S)-7,11-bis[(2S)-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamido]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-N-[(2R,3S,6R,7S,10R,11S)-7,11-bis[(2S)-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamido]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-5-[(diaminomethylidene)amino]-2-[(2,3-dihydroxyphenyl)formamido]pentanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@H]1OC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(O)C(O)=CC=C2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(O)C(O)=CC=C2)[C@@H](C)OC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=C(O)C(O)=CC=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C51H69N15O18/c1-22-34(64-43(76)28(13-7-19-58-49(52)53)61-40(73)25-10-4-16-31(67)37(25)70)46(79)83-24(3)36(66-45(78)30(15-9-21-60-51(56)57)63-42(75)27-12-6-18-33(69)39(27)72)48(81)84-23(2)35(47(80)82-22)65-44(77)29(14-8-20-59-50(54)55)62-41(74)26-11-5-17-32(68)38(26)71/h4-6,10-12,16-18,22-24,28-30,34-36,67-72H,7-9,13-15,19-21H2,1-3H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35+,36+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | WLSGYSOOUFLHHA-XKCQZYHGSA-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 | NPA003060 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 27025793 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 70698137 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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