Showing NP-Card for Microbacterin A (NP0013802)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 23:06:40 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:15:30 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0013802 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Microbacterin A | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Microbacterin A is found in Microbacterium and Microbacterium sediminis. It was first documented in 2015 (PMID: 25675340). Based on a literature review very few articles have been published on Microbacterin A. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0013802 (Microbacterin A)
Mrv1652307042106593D
285287 0 0 0 0 999 V2000
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7.0532 -1.7650 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2655 -2.0671 3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9761 -2.3709 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0639 -1.1964 6.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 -0.8904 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4250 0.4827 5.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.3653 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 1.5874 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4016 3.1725 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4441 3.0153 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 1.4452 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0299 3.1113 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1625 5.6924 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
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73 74 1 0 0 0 0
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76 77 1 0 0 0 0
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83 85 1 0 0 0 0
83 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 2 0 0 0 0
3 90 1 6 0 0 0
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92 93 1 0 0 0 0
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98 99 1 0 0 0 0
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100102 1 0 0 0 0
98103 1 0 0 0 0
103104 2 0 0 0 0
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132133 1 0 0 0 0
38 34 1 0 0 0 0
55 50 1 0 0 0 0
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2137 1 0 0 0 0
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66205 1 0 0 0 0
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67208 1 0 0 0 0
67209 1 0 0 0 0
67210 1 0 0 0 0
68211 1 0 0 0 0
71212 1 1 0 0 0
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73216 1 0 0 0 0
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131282 1 0 0 0 0
132283 1 0 0 0 0
132284 1 0 0 0 0
133285 1 0 0 0 0
M END
3D MOL for NP0013802 (Microbacterin A)
RDKit 3D
285287 0 0 0 0 0 0 0 0999 V2000
-1.6194 4.1334 3.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 5.2689 4.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 5.1279 5.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2541 6.2571 6.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 3.8451 6.2069 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 3.2263 6.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 3.7381 6.7475 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4181 1.8537 7.4287 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0775 1.2835 7.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0110 -0.0941 8.0618 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4498 -0.5406 7.9924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 -0.1719 9.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4134 1.0608 6.7707 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8100 1.1521 6.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3947 1.9813 7.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6356 0.2293 5.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0048 0.7966 5.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6746 -0.0963 4.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9294 0.1389 4.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5262 1.2035 4.4704 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5482 -0.7767 3.1848 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6458 -0.0995 2.5733 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1322 -2.0309 3.7348 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.3234 -1.6965 4.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7503 -2.7829 2.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.7010 -3.3168 2.7273 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3026 -4.4057 4.7696 C 0 0 2 0 0 0 0 0 0 0 0 0
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-4.9079 -6.7735 4.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2531 -6.2350 5.7508 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5955 -4.0814 5.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 -4.6804 3.9831 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 -4.2810 2.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 -5.0345 1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 -3.1150 2.1291 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6176 -1.8638 2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -3.3676 2.6211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -2.3722 2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 -3.1780 0.7126 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 -2.3181 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1389 -1.2417 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -2.6904 -1.7315 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4212 -4.0928 -2.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0072 -4.2802 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 -3.9286 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -4.1472 -2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7047 -4.7359 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 -5.0959 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 -4.8690 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -1.7325 -2.6591 N 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5937 -0.4050 -4.8018 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2996 0.9807 -4.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 -1.0113 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2161 0.3973 -7.6515 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6976 1.3821 -8.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1759 -8.7929 -6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -9.3042 -5.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -9.2190 -7.9851 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8909 5.1368 4.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 4.1426 4.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 6.2165 3.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2745 6.0295 2.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 7.2144 1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 6.8389 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 5.5833 0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1205 7.7016 0.0346 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.1407 -0.9670 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7947 7.5587 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5020 7.1425 -3.5144 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9222 7.5173 -3.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7423 7.6316 -4.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3793 7.0112 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2185 6.4571 0.8919 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7255 7.2478 -0.5592 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6843 6.8256 0.5385 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0739 7.1881 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2286 7.5400 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5541 5.3484 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0724 4.7131 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9551 4.6897 1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8859 3.2675 2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8134 2.5436 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3710 2.9482 3.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5036 2.6980 1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6405 3.4840 1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1895 1.3754 2.2391 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9253 0.7736 2.0840 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0836 0.5646 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7108 -0.3070 4.3628 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0289 -1.6892 3.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6299 -0.4964 5.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0685 1.3937 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 1.7218 -0.0485 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6904 1.6211 1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9388 2.2190 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 2.4041 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 3.0645 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1106 3.3712 -1.7456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 3.3708 -0.3021 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 4.0322 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 4.2334 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8367 4.8699 -1.3854 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6251 3.8137 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3193 4.3734 2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3803 6.2101 4.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7877 6.5770 6.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 3.3280 6.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8148 2.0919 8.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6769 1.9201 7.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 1.1561 6.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.7736 7.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6982 -1.0405 7.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 0.3002 8.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 -1.2717 8.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2306 0.1949 10.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 0.2854 9.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -1.2757 9.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.7833 -0.7365 6.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1049 0.0434 5.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9194 1.8096 5.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5781 0.8672 6.6023 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2035 -6.4909 5.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -4.4852 6.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8783 -4.7847 7.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6741 -3.0079 5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5271 -4.3643 5.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8367 -1.0899 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5699 -2.0897 3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -1.3747 3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7375 -4.3784 2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -3.3677 3.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3527 -2.4705 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0852 -1.3461 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -2.6495 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6232 -4.0578 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 -2.7711 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 -4.3099 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0450 -4.7926 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6882 -3.4654 -3.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1173 -3.8932 -3.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7382 -4.9070 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0504 -5.5595 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7147 -5.1887 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5415 -1.3501 -2.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6538 1.0304 -3.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 1.6327 -5.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1053 1.4683 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4961 -1.9523 -5.7973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 -0.2493 -5.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 -1.1795 -4.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 -0.5887 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5627 -0.4735 -8.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6589 -1.5622 -7.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0678 0.1681 -6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2897 2.0377 -8.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3139 1.2477 -9.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7581 1.8584 -9.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 -1.0919 -9.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2377 -2.6563 -10.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 -2.2446 -13.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0060 -2.0250 -13.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.6770 -12.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5925 -3.8390 -12.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2855 -6.3366 -10.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4974 -6.1770 -10.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2792 -4.3783 -10.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3227 -6.1661 -8.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5691 -4.3650 -8.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4628 -3.8710 -7.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0563 -5.3083 -6.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3226 -7.1447 -8.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9696 -6.3887 -9.7852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3583 -5.5718 -8.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9877 -8.3380 -9.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3052 -8.4495 -8.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -9.4363 -8.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2594 -7.6243 -5.8893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 -8.6847 -5.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1400 -9.3178 -4.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1884 -10.3355 -5.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5612 7.0522 3.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2572 5.0585 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 5.9189 3.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 8.0650 2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 7.3910 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9717 8.7059 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6790 6.0034 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6754 7.2634 -2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6719 8.6971 -2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5129 5.9778 -3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1255 7.6017 -4.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1892 8.5110 -3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6297 6.7012 -3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4092 8.1669 -5.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9263 8.2821 -4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2491 6.7763 -5.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1986 7.6839 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2413 7.1824 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8205 6.4842 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3474 8.2115 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1498 7.9806 2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8412 6.7546 2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4850 8.2910 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3496 5.3059 2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2938 1.6916 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1914 2.1719 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6177 3.2268 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9427 1.9974 3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0973 3.7412 3.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5851 2.8766 4.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9776 0.7729 2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0779 -0.2840 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7174 1.5249 3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 0.0021 3.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6105 0.1412 4.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0532 -1.7650 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2655 -2.0671 3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9761 -2.3709 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0639 -1.1964 6.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 -0.8904 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4250 0.4827 5.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.3653 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 1.5874 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4016 3.1725 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4441 3.0153 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 1.4452 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0299 3.1113 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7050 3.4536 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1838 5.0363 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8426 4.7426 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3583 3.2146 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1625 5.6924 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
10 12 1 0
8 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
21 23 1 0
23 24 1 0
23 25 1 0
23 26 1 1
26 27 1 0
27 28 2 0
27 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 1 0
37 38 1 0
38 39 1 0
39 40 2 0
41 39 1 1
41 42 1 0
41 43 1 0
43 44 1 0
41 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 2 0
51 52 1 0
52 53 2 0
53 54 1 0
54 55 2 0
48 56 1 0
56 57 1 0
57 58 2 0
59 57 1 1
59 60 1 0
59 61 1 0
59 62 1 0
62 63 1 0
63 64 2 0
65 63 1 1
65 66 1 0
65 67 1 0
65 68 1 0
68 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
71 73 1 0
73 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
81 82 2 0
83 81 1 1
83 84 1 0
83 85 1 0
83 86 1 0
86 87 1 0
87 88 1 0
87 89 2 0
3 90 1 6
90 91 2 0
90 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
95 96 2 0
95 97 1 0
97 98 1 0
98 99 1 0
99100 1 0
100101 1 0
100102 1 0
98103 1 0
103104 2 0
103105 1 0
105106 1 0
106107 1 0
106108 1 0
106109 1 1
109110 2 0
109111 1 0
111112 1 0
112113 1 0
112114 1 0
112115 1 1
115116 2 0
115117 1 0
117118 1 0
118119 1 0
119120 1 0
120121 1 0
120122 1 0
118123 1 0
123124 2 0
123125 1 0
125126 1 0
126127 1 0
127128 1 0
128129 2 0
128130 1 0
130131 1 0
131132 1 0
132133 1 0
38 34 1 0
55 50 1 0
80 76 1 0
1134 1 0
1135 1 0
1136 1 0
2137 1 0
2138 1 0
4139 1 0
4140 1 0
4141 1 0
5142 1 0
8143 1 1
9144 1 0
9145 1 0
10146 1 6
11147 1 0
11148 1 0
11149 1 0
12150 1 0
12151 1 0
12152 1 0
13153 1 0
16154 1 0
16155 1 0
17156 1 0
17157 1 0
18158 1 0
21159 1 6
22160 1 0
24161 1 0
24162 1 0
24163 1 0
25164 1 0
25165 1 0
25166 1 0
26167 1 0
29168 1 1
30169 1 0
30170 1 0
30171 1 0
31172 1 0
34173 1 6
35174 1 0
35175 1 0
36176 1 0
36177 1 0
37178 1 0
37179 1 0
42180 1 0
42181 1 0
42182 1 0
43183 1 0
43184 1 0
44185 1 0
44186 1 0
44187 1 0
45188 1 0
48189 1 1
49190 1 0
49191 1 0
51192 1 0
52193 1 0
53194 1 0
54195 1 0
55196 1 0
56197 1 0
60198 1 0
60199 1 0
60200 1 0
61201 1 0
61202 1 0
61203 1 0
62204 1 0
66205 1 0
66206 1 0
66207 1 0
67208 1 0
67209 1 0
67210 1 0
68211 1 0
71212 1 1
72213 1 0
72214 1 0
72215 1 0
73216 1 0
76217 1 6
77218 1 0
77219 1 0
78220 1 0
78221 1 0
79222 1 0
79223 1 0
84224 1 0
84225 1 0
84226 1 0
85227 1 0
85228 1 0
85229 1 0
86230 1 0
88231 1 0
88232 1 0
88233 1 0
92234 1 0
93235 1 0
93236 1 0
94237 1 0
94238 1 0
97239 1 0
98240 1 6
99241 1 0
99242 1 0
100243 1 6
101244 1 0
101245 1 0
101246 1 0
102247 1 0
102248 1 0
102249 1 0
105250 1 0
107251 1 0
107252 1 0
107253 1 0
108254 1 0
108255 1 0
108256 1 0
111257 1 0
113258 1 0
113259 1 0
113260 1 0
114261 1 0
114262 1 0
114263 1 0
117264 1 0
118265 1 6
119266 1 0
119267 1 0
120268 1 1
121269 1 0
121270 1 0
121271 1 0
122272 1 0
122273 1 0
122274 1 0
125275 1 0
126276 1 0
126277 1 0
127278 1 0
127279 1 0
130280 1 0
131281 1 0
131282 1 0
132283 1 0
132284 1 0
133285 1 0
M END
3D SDF for NP0013802 (Microbacterin A)
Mrv1652307042106593D
285287 0 0 0 0 999 V2000
-1.6194 4.1334 3.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 5.2689 4.5887 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3117 5.1279 5.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2541 6.2571 6.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 3.8451 6.2069 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 3.2263 6.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 3.7381 6.7475 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4181 1.8537 7.4287 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0775 1.2835 7.4332 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0110 -0.0941 8.0618 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4498 -0.5406 7.9924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 -0.1719 9.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4134 1.0608 6.7707 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8100 1.1521 6.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3947 1.9813 7.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6356 0.2293 5.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0048 0.7966 5.6606 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6746 -0.0963 4.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9294 0.1389 4.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5262 1.2035 4.4704 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5482 -0.7767 3.1848 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6458 -0.0995 2.5733 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1322 -2.0309 3.7348 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.3234 -1.6965 4.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7503 -2.7829 2.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2609 -2.9032 4.4304 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0880 -3.5205 3.9243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7010 -3.3168 2.7273 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3026 -4.4057 4.7696 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5255 -4.0540 6.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8827 -4.4509 4.5444 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2229 -5.6977 4.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9079 -6.7735 4.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7833 -5.8945 4.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2531 -6.2350 5.7508 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3895 -4.7995 6.3217 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5955 -4.0814 5.2159 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0311 -4.6804 3.9831 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 -4.2810 2.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 -5.0345 1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 -3.1150 2.1291 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6176 -1.8638 2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -3.3676 2.6211 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4180 -2.3722 2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 -3.1780 0.7126 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 -2.3181 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1389 -1.2417 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -2.6904 -1.7315 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4212 -4.0928 -2.0655 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0072 -4.2802 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 -3.9286 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -4.1472 -2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7047 -4.7359 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 -5.0959 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 -4.8690 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -1.7325 -2.6591 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1387 -1.3149 -3.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2997 -1.7483 -3.9185 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5937 -0.4050 -4.8018 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2996 0.9807 -4.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 -1.0113 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5419 -0.3228 -5.8993 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 0.0476 -7.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2161 0.3973 -7.6515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 -0.0018 -8.2188 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7254 -0.5111 -7.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 1.3821 -8.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0541 -0.8580 -9.3064 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8294 -1.4066 -10.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0382 -1.2111 -10.4689 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1473 -2.3555 -11.2987 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0562 -1.7882 -12.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0233 -3.5666 -11.2973 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9613 -4.2779 -10.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 -3.7891 -9.1518 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6700 -5.5087 -9.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.1398 -5.3093 -10.0315 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8297 -5.2003 -8.7188 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7389 -4.9327 -7.7262 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6265 -5.7263 -8.2727 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 -6.4779 -7.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9032 -6.4590 -6.2404 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -7.3238 -7.9689 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6019 -6.5369 -8.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1824 -8.4483 -8.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9060 -7.9088 -6.8353 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1759 -8.7929 -6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -9.3042 -5.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -9.2190 -7.9851 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8909 5.1368 4.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 4.1426 4.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 6.2165 3.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2745 6.0295 2.8504 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4994 7.2144 1.9225 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5100 6.8389 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 5.5833 0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1205 7.7016 0.0346 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.1407 -0.9670 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7947 7.5587 -2.3013 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5020 7.1425 -3.5144 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9222 7.5173 -3.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7423 7.6316 -4.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3793 7.0112 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2185 6.4571 0.8919 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7255 7.2478 -0.5592 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6843 6.8256 0.5385 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0739 7.1881 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2286 7.5400 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5541 5.3484 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0724 4.7131 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9551 4.6897 1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <DATABASE_ID>
NP0013802
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@](N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@](N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C91H152N20O22/c1-26-90(24,81(131)95-42-39-66(116)98-59(48-52(5)6)71(121)105-88(20,21)80(130)109-85(14,15)77(127)100-58(47-51(3)4)70(120)93-40-37-64(114)92-43-46-112)106-72(122)60(49-53(7)8)99-65(115)38-41-94-76(126)67(117)84(12,13)103-68(118)54(9)96-75(125)63-36-32-45-111(63)83(133)91(25,27-2)107-73(123)61(50-57-33-29-28-30-34-57)101-78(128)86(16,17)108-79(129)87(18,19)104-69(119)55(10)97-74(124)62-35-31-44-110(62)82(132)89(22,23)102-56(11)113/h28-30,33-34,51-55,58-63,67,112,117H,26-27,31-32,35-50H2,1-25H3,(H,92,114)(H,93,120)(H,94,126)(H,95,131)(H,96,125)(H,97,124)(H,98,116)(H,99,115)(H,100,127)(H,101,128)(H,102,113)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,129)(H,109,130)/t54-,55-,58-,59-,60-,61-,62-,63-,67-,90+,91+/m0/s1
> <INCHI_KEY>
ZIWFEHAHHMAUGF-NOXNPAQRSA-N
> <FORMULA>
C91H152N20O22
> <MOLECULAR_WEIGHT>
1878.335
> <EXACT_MASS>
1877.139006614
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_ATOM_COUNT>
285
> <JCHEM_AVERAGE_POLARIZABILITY>
201.9038964283507
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
20
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
2-{3-[(2R)-2-[(2S)-2-{3-[(2R)-3-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-2-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-hydroxy-3-methylbutanamido]propanamido}-4-methylpentanamido]-2-methylbutanamido]propanamido}-N-{1-[(1-{[(1S)-1-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}-4-methylpentanamide
> <JCHEM_LOGP>
-2.997194031333335
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.760960954731978
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.386946922318847
> <JCHEM_PKA_STRONGEST_BASIC>
-3.928320345161187
> <JCHEM_POLAR_SURFACE_AREA>
604.8799999999998
> <JCHEM_REFRACTIVITY>
488.58179999999993
> <JCHEM_ROTATABLE_BOND_COUNT>
52
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
2-{3-[(2R)-2-[(2S)-2-{3-[(2R)-3-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-2-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-hydroxy-3-methylbutanamido]propanamido}-4-methylpentanamido]-2-methylbutanamido]propanamido}-N-{1-[(1-{[(1S)-1-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}-4-methylpentanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0013802 (Microbacterin A)
RDKit 3D
285287 0 0 0 0 0 0 0 0999 V2000
-1.6194 4.1334 3.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 5.2689 4.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 5.1279 5.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2541 6.2571 6.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 3.8451 6.2069 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 3.2263 6.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 3.7381 6.7475 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4181 1.8537 7.4287 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0775 1.2835 7.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0110 -0.0941 8.0618 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4498 -0.5406 7.9924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 -0.1719 9.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4134 1.0608 6.7707 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8100 1.1521 6.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3947 1.9813 7.5595 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6356 0.2293 5.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0048 0.7966 5.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6746 -0.0963 4.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9294 0.1389 4.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5262 1.2035 4.4704 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5482 -0.7767 3.1848 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6458 -0.0995 2.5733 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1322 -2.0309 3.7348 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.3234 -1.6965 4.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7503 -2.7829 2.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2609 -2.9032 4.4304 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0880 -3.5205 3.9243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7010 -3.3168 2.7273 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3026 -4.4057 4.7696 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5255 -4.0540 6.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8827 -4.4509 4.5444 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2229 -5.6977 4.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9079 -6.7735 4.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7833 -5.8945 4.3259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2531 -6.2350 5.7508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3895 -4.7995 6.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 -4.0814 5.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 -4.6804 3.9831 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 -4.2810 2.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 -5.0345 1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 -3.1150 2.1291 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6176 -1.8638 2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -3.3676 2.6211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -2.3722 2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 -3.1780 0.7126 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 -2.3181 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1389 -1.2417 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -2.6904 -1.7315 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4212 -4.0928 -2.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0072 -4.2802 -1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 -3.9286 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 -4.1472 -2.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7047 -4.7359 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7429 -5.0959 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 -4.8690 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -1.7325 -2.6591 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1387 -1.3149 -3.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2997 -1.7483 -3.9185 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5937 -0.4050 -4.8018 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2996 0.9807 -4.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 -1.0113 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5419 -0.3228 -5.8993 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 0.0476 -7.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2161 0.3973 -7.6515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 -0.0018 -8.2188 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7254 -0.5111 -7.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 1.3821 -8.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0541 -0.8580 -9.3064 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8294 -1.4066 -10.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0382 -1.2111 -10.4689 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1473 -2.3555 -11.2987 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0562 -1.7882 -12.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0233 -3.5666 -11.2973 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9613 -4.2779 -10.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 -3.7891 -9.1518 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6700 -5.5087 -9.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.1398 -5.3093 -10.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8297 -5.2003 -8.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7389 -4.9327 -7.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6265 -5.7263 -8.2727 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 -6.4779 -7.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9032 -6.4590 -6.2404 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -7.3238 -7.9689 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6019 -6.5369 -8.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1824 -8.4483 -8.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9060 -7.9088 -6.8353 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1759 -8.7929 -6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -9.3042 -5.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -9.2190 -7.9851 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8909 5.1368 4.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 4.1426 4.6347 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 6.2165 3.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2745 6.0295 2.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 7.2144 1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5100 6.8389 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 5.5833 0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1205 7.7016 0.0346 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.1407 -0.9670 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7947 7.5587 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5020 7.1425 -3.5144 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9222 7.5173 -3.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7423 7.6316 -4.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3793 7.0112 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2185 6.4571 0.8919 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7255 7.2478 -0.5592 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6843 6.8256 0.5385 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0739 7.1881 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2286 7.5400 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5541 5.3484 0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0724 4.7131 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9551 4.6897 1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8859 3.2675 2.0821 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8134 2.5436 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3710 2.9482 3.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5036 2.6980 1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6405 3.4840 1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1895 1.3754 2.2391 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9253 0.7736 2.0840 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0836 0.5646 3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7108 -0.3070 4.3628 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0289 -1.6892 3.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6299 -0.4964 5.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0685 1.3937 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7066 1.7218 -0.0485 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6904 1.6211 1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9388 2.2190 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 2.4041 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 3.0645 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1106 3.3712 -1.7456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 3.3708 -0.3021 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 4.0322 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 4.2334 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8367 4.8699 -1.3854 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6251 3.8137 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3193 4.3734 2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0599 3.2539 4.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4119 5.3632 5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3803 6.2101 4.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8801 6.1646 7.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6741 7.1711 5.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7877 6.5770 6.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 3.3280 6.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8148 2.0919 8.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6769 1.9201 7.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 1.1561 6.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -0.7736 7.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6982 -1.0405 7.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 0.3002 8.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 -1.2717 8.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2306 0.1949 10.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 0.2854 9.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -1.2757 9.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 0.2849 6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7833 -0.7365 6.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1049 0.0434 5.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9194 1.8096 5.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5781 0.8672 6.6023 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1560 -0.9609 4.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8193 -1.0554 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3972 0.8540 2.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0239 -2.5336 4.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7916 -0.7748 4.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9499 -1.6474 5.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0044 -2.9352 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5426 -2.1240 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1717 -3.7527 2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4867 -3.1317 5.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6829 -5.4533 4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4893 -4.5428 6.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5908 -2.9796 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7408 -4.4842 6.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3764 -3.5555 4.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5161 -6.7598 3.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9269 -6.9281 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2035 -6.4909 5.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5271 -4.3643 5.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5699 -2.0897 3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -1.3747 3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7375 -4.3784 2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -3.3677 3.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3527 -2.4705 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0852 -1.3461 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -2.6495 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6232 -4.0578 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0450 -4.7926 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6882 -3.4654 -3.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1173 -3.8932 -3.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7382 -4.9070 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0504 -5.5595 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7147 -5.1887 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5415 -1.3501 -2.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6538 1.0304 -3.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 1.6327 -5.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1053 1.4683 -3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4961 -1.9523 -5.7973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 -0.2493 -5.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 -1.1795 -4.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 -0.5887 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.5612 7.0522 3.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2572 5.0585 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 5.9189 3.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 8.0650 2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 7.3910 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9717 8.7059 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6790 6.0034 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6754 7.2634 -2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6719 8.6971 -2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5129 5.9778 -3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1255 7.6017 -4.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.4092 8.1669 -5.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9263 8.2821 -4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2491 6.7763 -5.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1986 7.6839 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2413 7.1824 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.3474 8.2115 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.8412 6.7546 2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4850 8.2910 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3496 5.3059 2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2938 1.6916 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1914 2.1719 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6177 3.2268 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9427 1.9974 3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.7174 1.5249 3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 0.0021 3.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6105 0.1412 4.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0532 -1.7650 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2655 -2.0671 3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.7452 -0.8904 4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4250 0.4827 5.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.3653 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 1.5874 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4016 3.1725 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4441 3.0153 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
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132284 1 0
133285 1 0
M END
PDB for NP0013802 (Microbacterin A)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 -1.619 4.133 3.630 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.518 5.269 4.589 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.312 5.128 5.540 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.254 6.257 6.456 0.00 0.00 C+0 HETATM 5 N UNK 0 -0.356 3.845 6.207 0.00 0.00 N+0 HETATM 6 C UNK 0 -1.454 3.226 6.762 0.00 0.00 C+0 HETATM 7 O UNK 0 -2.592 3.738 6.747 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.418 1.854 7.429 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.078 1.284 7.433 0.00 0.00 C+0 HETATM 10 C UNK 0 0.011 -0.094 8.062 0.00 0.00 C+0 HETATM 11 C UNK 0 1.450 -0.541 7.992 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.492 -0.172 9.465 0.00 0.00 C+0 HETATM 13 N UNK 0 -2.413 1.061 6.771 0.00 0.00 N+0 HETATM 14 C UNK 0 -3.810 1.152 6.841 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.395 1.981 7.559 0.00 0.00 O+0 HETATM 16 C UNK 0 -4.636 0.229 5.998 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.005 0.797 5.661 0.00 0.00 C+0 HETATM 18 N UNK 0 -6.675 -0.096 4.717 0.00 0.00 N+0 HETATM 19 C UNK 0 -7.929 0.139 4.140 0.00 0.00 C+0 HETATM 20 O UNK 0 -8.526 1.204 4.470 0.00 0.00 O+0 HETATM 21 C UNK 0 -8.548 -0.777 3.185 0.00 0.00 C+0 HETATM 22 O UNK 0 -9.646 -0.100 2.573 0.00 0.00 O+0 HETATM 23 C UNK 0 -9.132 -2.031 3.735 0.00 0.00 C+0 HETATM 24 C UNK 0 -10.323 -1.696 4.649 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.750 -2.783 2.561 0.00 0.00 C+0 HETATM 26 N UNK 0 -8.261 -2.903 4.430 0.00 0.00 N+0 HETATM 27 C UNK 0 -7.088 -3.521 3.924 0.00 0.00 C+0 HETATM 28 O UNK 0 -6.701 -3.317 2.727 0.00 0.00 O+0 HETATM 29 C UNK 0 -6.303 -4.406 4.770 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.526 -4.054 6.243 0.00 0.00 C+0 HETATM 31 N UNK 0 -4.883 -4.451 4.544 0.00 0.00 N+0 HETATM 32 C UNK 0 -4.223 -5.698 4.509 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.908 -6.774 4.657 0.00 0.00 O+0 HETATM 34 C UNK 0 -2.783 -5.894 4.326 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.253 -6.235 5.751 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.389 -4.800 6.322 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.595 -4.081 5.216 0.00 0.00 C+0 HETATM 38 N UNK 0 -2.031 -4.680 3.983 0.00 0.00 N+0 HETATM 39 C UNK 0 -1.806 -4.281 2.682 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.353 -5.035 1.767 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.029 -3.115 2.129 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.618 -1.864 2.694 0.00 0.00 C+0 HETATM 43 C UNK 0 0.390 -3.368 2.621 0.00 0.00 C+0 HETATM 44 C UNK 0 1.418 -2.372 2.212 0.00 0.00 C+0 HETATM 45 N UNK 0 -1.128 -3.178 0.713 0.00 0.00 N+0 HETATM 46 C UNK 0 -0.707 -2.318 -0.331 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.139 -1.242 -0.070 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.935 -2.690 -1.732 0.00 0.00 C+0 HETATM 49 C UNK 0 -0.421 -4.093 -2.066 0.00 0.00 C+0 HETATM 50 C UNK 0 1.007 -4.280 -1.840 0.00 0.00 C+0 HETATM 51 C UNK 0 1.972 -3.929 -2.736 0.00 0.00 C+0 HETATM 52 C UNK 0 3.298 -4.147 -2.475 0.00 0.00 C+0 HETATM 53 C UNK 0 3.705 -4.736 -1.290 0.00 0.00 C+0 HETATM 54 C UNK 0 2.743 -5.096 -0.382 0.00 0.00 C+0 HETATM 55 C UNK 0 1.416 -4.869 -0.654 0.00 0.00 C+0 HETATM 56 N UNK 0 -0.398 -1.732 -2.659 0.00 0.00 N+0 HETATM 57 C UNK 0 -1.139 -1.315 -3.780 0.00 0.00 C+0 HETATM 58 O UNK 0 -2.300 -1.748 -3.918 0.00 0.00 O+0 HETATM 59 C UNK 0 -0.594 -0.405 -4.802 0.00 0.00 C+0 HETATM 60 C UNK 0 -0.300 0.981 -4.309 0.00 0.00 C+0 HETATM 61 C UNK 0 0.722 -1.011 -5.265 0.00 0.00 C+0 HETATM 62 N UNK 0 -1.542 -0.323 -5.899 0.00 0.00 N+0 HETATM 63 C UNK 0 -1.321 0.048 -7.216 0.00 0.00 C+0 HETATM 64 O UNK 0 -0.216 0.397 -7.652 0.00 0.00 O+0 HETATM 65 C UNK 0 -2.466 -0.002 -8.219 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.725 -0.511 -7.602 0.00 0.00 C+0 HETATM 67 C UNK 0 -2.698 1.382 -8.773 0.00 0.00 C+0 HETATM 68 N UNK 0 -2.054 -0.858 -9.306 0.00 0.00 N+0 HETATM 69 C UNK 0 -2.829 -1.407 -10.316 0.00 0.00 C+0 HETATM 70 O UNK 0 -4.038 -1.211 -10.469 0.00 0.00 O+0 HETATM 71 C UNK 0 -2.147 -2.356 -11.299 0.00 0.00 C+0 HETATM 72 C UNK 0 -2.056 -1.788 -12.640 0.00 0.00 C+0 HETATM 73 N UNK 0 -3.023 -3.567 -11.297 0.00 0.00 N+0 HETATM 74 C UNK 0 -2.961 -4.278 -10.071 0.00 0.00 C+0 HETATM 75 O UNK 0 -2.193 -3.789 -9.152 0.00 0.00 O+0 HETATM 76 C UNK 0 -3.670 -5.509 -9.705 0.00 0.00 C+0 HETATM 77 C UNK 0 -5.140 -5.309 -10.031 0.00 0.00 C+0 HETATM 78 C UNK 0 -5.830 -5.200 -8.719 0.00 0.00 C+0 HETATM 79 C UNK 0 -4.739 -4.933 -7.726 0.00 0.00 C+0 HETATM 80 N UNK 0 -3.627 -5.726 -8.273 0.00 0.00 N+0 HETATM 81 C UNK 0 -2.748 -6.478 -7.501 0.00 0.00 C+0 HETATM 82 O UNK 0 -2.903 -6.459 -6.240 0.00 0.00 O+0 HETATM 83 C UNK 0 -1.620 -7.324 -7.969 0.00 0.00 C+0 HETATM 84 C UNK 0 -0.602 -6.537 -8.751 0.00 0.00 C+0 HETATM 85 C UNK 0 -2.182 -8.448 -8.791 0.00 0.00 C+0 HETATM 86 N UNK 0 -0.906 -7.909 -6.835 0.00 0.00 N+0 HETATM 87 C UNK 0 0.176 -8.793 -6.913 0.00 0.00 C+0 HETATM 88 C UNK 0 0.822 -9.304 -5.665 0.00 0.00 C+0 HETATM 89 O UNK 0 0.681 -9.219 -7.985 0.00 0.00 O+0 HETATM 90 C UNK 0 0.891 5.137 4.611 0.00 0.00 C+0 HETATM 91 O UNK 0 1.628 4.143 4.635 0.00 0.00 O+0 HETATM 92 N UNK 0 1.161 6.216 3.730 0.00 0.00 N+0 HETATM 93 C UNK 0 2.275 6.029 2.850 0.00 0.00 C+0 HETATM 94 C UNK 0 2.499 7.214 1.923 0.00 0.00 C+0 HETATM 95 C UNK 0 3.510 6.839 0.914 0.00 0.00 C+0 HETATM 96 O UNK 0 3.839 5.583 0.860 0.00 0.00 O+0 HETATM 97 N UNK 0 4.120 7.702 0.035 0.00 0.00 N+0 HETATM 98 C UNK 0 5.116 7.141 -0.967 0.00 0.00 C+0 HETATM 99 C UNK 0 4.795 7.559 -2.301 0.00 0.00 C+0 HETATM 100 C UNK 0 5.502 7.143 -3.514 0.00 0.00 C+0 HETATM 101 C UNK 0 6.922 7.517 -3.669 0.00 0.00 C+0 HETATM 102 C UNK 0 4.742 7.632 -4.770 0.00 0.00 C+0 HETATM 103 C UNK 0 6.379 7.011 -0.350 0.00 0.00 C+0 HETATM 104 O UNK 0 6.218 6.457 0.892 0.00 0.00 O+0 HETATM 105 N UNK 0 7.726 7.248 -0.559 0.00 0.00 N+0 HETATM 106 C UNK 0 8.684 6.826 0.539 0.00 0.00 C+0 HETATM 107 C UNK 0 10.074 7.188 0.154 0.00 0.00 C+0 HETATM 108 C UNK 0 8.229 7.540 1.780 0.00 0.00 C+0 HETATM 109 C UNK 0 8.554 5.348 0.667 0.00 0.00 C+0 HETATM 110 O UNK 0 8.072 4.713 -0.293 0.00 0.00 O+0 HETATM 111 N UNK 0 8.955 4.690 1.828 0.00 0.00 N+0 HETATM 112 C UNK 0 8.886 3.268 2.082 0.00 0.00 C+0 HETATM 113 C UNK 0 9.813 2.544 1.081 0.00 0.00 C+0 HETATM 114 C UNK 0 9.371 2.948 3.454 0.00 0.00 C+0 HETATM 115 C UNK 0 7.504 2.698 1.924 0.00 0.00 C+0 HETATM 116 O UNK 0 6.641 3.484 1.488 0.00 0.00 O+0 HETATM 117 N UNK 0 7.189 1.375 2.239 0.00 0.00 N+0 HETATM 118 C UNK 0 5.925 0.774 2.084 0.00 0.00 C+0 HETATM 119 C UNK 0 5.084 0.565 3.291 0.00 0.00 C+0 HETATM 120 C UNK 0 5.711 -0.307 4.363 0.00 0.00 C+0 HETATM 121 C UNK 0 6.029 -1.689 3.845 0.00 0.00 C+0 HETATM 122 C UNK 0 4.630 -0.496 5.443 0.00 0.00 C+0 HETATM 123 C UNK 0 5.069 1.394 1.014 0.00 0.00 C+0 HETATM 124 O UNK 0 5.707 1.722 -0.049 0.00 0.00 O+0 HETATM 125 N UNK 0 3.690 1.621 1.111 0.00 0.00 N+0 HETATM 126 C UNK 0 2.939 2.219 0.041 0.00 0.00 C+0 HETATM 127 C UNK 0 1.485 2.404 0.413 0.00 0.00 C+0 HETATM 128 C UNK 0 0.682 3.064 -0.620 0.00 0.00 C+0 HETATM 129 O UNK 0 1.111 3.371 -1.746 0.00 0.00 O+0 HETATM 130 N UNK 0 -0.671 3.371 -0.302 0.00 0.00 N+0 HETATM 131 C UNK 0 -1.581 4.032 -1.216 0.00 0.00 C+0 HETATM 132 C UNK 0 -2.941 4.233 -0.560 0.00 0.00 C+0 HETATM 133 O UNK 0 -3.837 4.870 -1.385 0.00 0.00 O+0 HETATM 134 H UNK 0 -0.625 3.814 3.241 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.319 4.373 2.786 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.060 3.254 4.134 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.412 5.363 5.200 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.380 6.210 4.011 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.880 6.165 7.371 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.674 7.171 5.936 0.00 0.00 H+0 HETATM 141 H UNK 0 0.788 6.577 6.716 0.00 0.00 H+0 HETATM 142 H UNK 0 0.578 3.328 6.269 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.815 2.092 8.456 0.00 0.00 H+0 HETATM 144 H UNK 0 0.677 1.920 7.949 0.00 0.00 H+0 HETATM 145 H UNK 0 0.287 1.156 6.391 0.00 0.00 H+0 HETATM 146 H UNK 0 -0.606 -0.774 7.418 0.00 0.00 H+0 HETATM 147 H UNK 0 1.698 -1.040 7.027 0.00 0.00 H+0 HETATM 148 H UNK 0 2.173 0.300 8.091 0.00 0.00 H+0 HETATM 149 H UNK 0 1.729 -1.272 8.790 0.00 0.00 H+0 HETATM 150 H UNK 0 0.231 0.195 10.219 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.494 0.285 9.594 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.625 -1.276 9.683 0.00 0.00 H+0 HETATM 153 H UNK 0 -2.002 0.285 6.148 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.783 -0.737 6.492 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.105 0.043 5.039 0.00 0.00 H+0 HETATM 156 H UNK 0 -5.919 1.810 5.225 0.00 0.00 H+0 HETATM 157 H UNK 0 -6.578 0.867 6.602 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.156 -0.961 4.468 0.00 0.00 H+0 HETATM 159 H UNK 0 -7.819 -1.055 2.392 0.00 0.00 H+0 HETATM 160 H UNK 0 -9.397 0.854 2.456 0.00 0.00 H+0 HETATM 161 H UNK 0 -11.024 -2.534 4.580 0.00 0.00 H+0 HETATM 162 H UNK 0 -10.792 -0.775 4.316 0.00 0.00 H+0 HETATM 163 H UNK 0 -9.950 -1.647 5.703 0.00 0.00 H+0 HETATM 164 H UNK 0 -9.004 -2.935 1.758 0.00 0.00 H+0 HETATM 165 H UNK 0 -10.543 -2.124 2.112 0.00 0.00 H+0 HETATM 166 H UNK 0 -10.172 -3.753 2.880 0.00 0.00 H+0 HETATM 167 H UNK 0 -8.487 -3.132 5.438 0.00 0.00 H+0 HETATM 168 H UNK 0 -6.683 -5.453 4.636 0.00 0.00 H+0 HETATM 169 H UNK 0 -7.489 -4.543 6.554 0.00 0.00 H+0 HETATM 170 H UNK 0 -6.591 -2.980 6.371 0.00 0.00 H+0 HETATM 171 H UNK 0 -5.741 -4.484 6.859 0.00 0.00 H+0 HETATM 172 H UNK 0 -4.376 -3.555 4.408 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.516 -6.760 3.724 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.927 -6.928 6.232 0.00 0.00 H+0 HETATM 175 H UNK 0 -1.204 -6.491 5.676 0.00 0.00 H+0 HETATM 176 H UNK 0 -3.421 -4.485 6.388 0.00 0.00 H+0 HETATM 177 H UNK 0 -1.878 -4.785 7.276 0.00 0.00 H+0 HETATM 178 H UNK 0 -1.674 -3.008 5.298 0.00 0.00 H+0 HETATM 179 H UNK 0 -0.527 -4.364 5.484 0.00 0.00 H+0 HETATM 180 H UNK 0 -1.837 -1.090 1.928 0.00 0.00 H+0 HETATM 181 H UNK 0 -2.570 -2.090 3.180 0.00 0.00 H+0 HETATM 182 H UNK 0 -0.973 -1.375 3.443 0.00 0.00 H+0 HETATM 183 H UNK 0 0.738 -4.378 2.359 0.00 0.00 H+0 HETATM 184 H UNK 0 0.383 -3.368 3.759 0.00 0.00 H+0 HETATM 185 H UNK 0 2.353 -2.470 2.839 0.00 0.00 H+0 HETATM 186 H UNK 0 1.085 -1.346 2.268 0.00 0.00 H+0 HETATM 187 H UNK 0 1.762 -2.650 1.197 0.00 0.00 H+0 HETATM 188 H UNK 0 -1.623 -4.058 0.335 0.00 0.00 H+0 HETATM 189 H UNK 0 -2.042 -2.771 -1.944 0.00 0.00 H+0 HETATM 190 H UNK 0 -0.660 -4.310 -3.139 0.00 0.00 H+0 HETATM 191 H UNK 0 -1.045 -4.793 -1.485 0.00 0.00 H+0 HETATM 192 H UNK 0 1.688 -3.465 -3.666 0.00 0.00 H+0 HETATM 193 H UNK 0 4.117 -3.893 -3.147 0.00 0.00 H+0 HETATM 194 H UNK 0 4.738 -4.907 -1.079 0.00 0.00 H+0 HETATM 195 H UNK 0 3.050 -5.559 0.551 0.00 0.00 H+0 HETATM 196 H UNK 0 0.715 -5.189 0.112 0.00 0.00 H+0 HETATM 197 H UNK 0 0.542 -1.350 -2.485 0.00 0.00 H+0 HETATM 198 H UNK 0 0.654 1.030 -3.735 0.00 0.00 H+0 HETATM 199 H UNK 0 -0.148 1.633 -5.223 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.105 1.468 -3.749 0.00 0.00 H+0 HETATM 201 H UNK 0 0.496 -1.952 -5.797 0.00 0.00 H+0 HETATM 202 H UNK 0 1.192 -0.249 -5.914 0.00 0.00 H+0 HETATM 203 H UNK 0 1.337 -1.180 -4.362 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.546 -0.589 -5.638 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.563 -0.474 -8.348 0.00 0.00 H+0 HETATM 206 H UNK 0 -3.659 -1.562 -7.285 0.00 0.00 H+0 HETATM 207 H UNK 0 -4.068 0.168 -6.784 0.00 0.00 H+0 HETATM 208 H UNK 0 -3.290 2.038 -8.125 0.00 0.00 H+0 HETATM 209 H UNK 0 -3.314 1.248 -9.712 0.00 0.00 H+0 HETATM 210 H UNK 0 -1.758 1.858 -9.147 0.00 0.00 H+0 HETATM 211 H UNK 0 -1.006 -1.092 -9.351 0.00 0.00 H+0 HETATM 212 H UNK 0 -1.238 -2.656 -10.777 0.00 0.00 H+0 HETATM 213 H UNK 0 -1.214 -2.245 -13.223 0.00 0.00 H+0 HETATM 214 H UNK 0 -3.006 -2.025 -13.205 0.00 0.00 H+0 HETATM 215 H UNK 0 -1.963 -0.677 -12.679 0.00 0.00 H+0 HETATM 216 H UNK 0 -3.592 -3.839 -12.096 0.00 0.00 H+0 HETATM 217 H UNK 0 -3.285 -6.337 -10.300 0.00 0.00 H+0 HETATM 218 H UNK 0 -5.497 -6.177 -10.651 0.00 0.00 H+0 HETATM 219 H UNK 0 -5.279 -4.378 -10.613 0.00 0.00 H+0 HETATM 220 H UNK 0 -6.323 -6.166 -8.458 0.00 0.00 H+0 HETATM 221 H UNK 0 -6.569 -4.365 -8.773 0.00 0.00 H+0 HETATM 222 H UNK 0 -4.463 -3.871 -7.602 0.00 0.00 H+0 HETATM 223 H UNK 0 -5.056 -5.308 -6.737 0.00 0.00 H+0 HETATM 224 H UNK 0 0.323 -7.145 -8.859 0.00 0.00 H+0 HETATM 225 H UNK 0 -0.970 -6.389 -9.785 0.00 0.00 H+0 HETATM 226 H UNK 0 -0.358 -5.572 -8.244 0.00 0.00 H+0 HETATM 227 H UNK 0 -1.988 -8.338 -9.866 0.00 0.00 H+0 HETATM 228 H UNK 0 -3.305 -8.450 -8.698 0.00 0.00 H+0 HETATM 229 H UNK 0 -1.873 -9.436 -8.379 0.00 0.00 H+0 HETATM 230 H UNK 0 -1.259 -7.624 -5.889 0.00 0.00 H+0 HETATM 231 H UNK 0 1.737 -8.685 -5.498 0.00 0.00 H+0 HETATM 232 H UNK 0 0.140 -9.318 -4.810 0.00 0.00 H+0 HETATM 233 H UNK 0 1.188 -10.335 -5.821 0.00 0.00 H+0 HETATM 234 H UNK 0 0.561 7.052 3.773 0.00 0.00 H+0 HETATM 235 H UNK 0 2.257 5.059 2.300 0.00 0.00 H+0 HETATM 236 H UNK 0 3.181 5.919 3.533 0.00 0.00 H+0 HETATM 237 H UNK 0 2.871 8.065 2.504 0.00 0.00 H+0 HETATM 238 H UNK 0 1.540 7.391 1.399 0.00 0.00 H+0 HETATM 239 H UNK 0 3.972 8.706 -0.012 0.00 0.00 H+0 HETATM 240 H UNK 0 4.679 6.003 -0.943 0.00 0.00 H+0 HETATM 241 H UNK 0 3.675 7.263 -2.479 0.00 0.00 H+0 HETATM 242 H UNK 0 4.672 8.697 -2.384 0.00 0.00 H+0 HETATM 243 H UNK 0 5.513 5.978 -3.591 0.00 0.00 H+0 HETATM 244 H UNK 0 7.125 7.602 -4.793 0.00 0.00 H+0 HETATM 245 H UNK 0 7.189 8.511 -3.277 0.00 0.00 H+0 HETATM 246 H UNK 0 7.630 6.701 -3.342 0.00 0.00 H+0 HETATM 247 H UNK 0 5.409 8.167 -5.454 0.00 0.00 H+0 HETATM 248 H UNK 0 3.926 8.282 -4.406 0.00 0.00 H+0 HETATM 249 H UNK 0 4.249 6.776 -5.282 0.00 0.00 H+0 HETATM 250 H UNK 0 8.199 7.684 -1.325 0.00 0.00 H+0 HETATM 251 H UNK 0 10.241 7.182 -0.945 0.00 0.00 H+0 HETATM 252 H UNK 0 10.820 6.484 0.589 0.00 0.00 H+0 HETATM 253 H UNK 0 10.347 8.211 0.515 0.00 0.00 H+0 HETATM 254 H UNK 0 9.150 7.981 2.236 0.00 0.00 H+0 HETATM 255 H UNK 0 7.841 6.755 2.495 0.00 0.00 H+0 HETATM 256 H UNK 0 7.485 8.291 1.516 0.00 0.00 H+0 HETATM 257 H UNK 0 9.350 5.306 2.607 0.00 0.00 H+0 HETATM 258 H UNK 0 10.294 1.692 1.605 0.00 0.00 H+0 HETATM 259 H UNK 0 9.191 2.172 0.259 0.00 0.00 H+0 HETATM 260 H UNK 0 10.618 3.227 0.789 0.00 0.00 H+0 HETATM 261 H UNK 0 9.943 1.997 3.519 0.00 0.00 H+0 HETATM 262 H UNK 0 10.097 3.741 3.802 0.00 0.00 H+0 HETATM 263 H UNK 0 8.585 2.877 4.227 0.00 0.00 H+0 HETATM 264 H UNK 0 7.978 0.773 2.631 0.00 0.00 H+0 HETATM 265 H UNK 0 6.078 -0.284 1.608 0.00 0.00 H+0 HETATM 266 H UNK 0 4.717 1.525 3.721 0.00 0.00 H+0 HETATM 267 H UNK 0 4.129 0.002 3.037 0.00 0.00 H+0 HETATM 268 H UNK 0 6.611 0.141 4.793 0.00 0.00 H+0 HETATM 269 H UNK 0 7.053 -1.765 3.458 0.00 0.00 H+0 HETATM 270 H UNK 0 5.266 -2.067 3.131 0.00 0.00 H+0 HETATM 271 H UNK 0 5.976 -2.371 4.727 0.00 0.00 H+0 HETATM 272 H UNK 0 5.064 -1.196 6.176 0.00 0.00 H+0 HETATM 273 H UNK 0 3.745 -0.890 4.930 0.00 0.00 H+0 HETATM 274 H UNK 0 4.425 0.483 5.935 0.00 0.00 H+0 HETATM 275 H UNK 0 3.176 1.365 1.971 0.00 0.00 H+0 HETATM 276 H UNK 0 2.944 1.587 -0.879 0.00 0.00 H+0 HETATM 277 H UNK 0 3.402 3.172 -0.243 0.00 0.00 H+0 HETATM 278 H UNK 0 1.444 3.015 1.342 0.00 0.00 H+0 HETATM 279 H UNK 0 0.996 1.445 0.671 0.00 0.00 H+0 HETATM 280 H UNK 0 -1.030 3.111 0.636 0.00 0.00 H+0 HETATM 281 H UNK 0 -1.705 3.454 -2.158 0.00 0.00 H+0 HETATM 282 H UNK 0 -1.184 5.036 -1.473 0.00 0.00 H+0 HETATM 283 H UNK 0 -2.843 4.743 0.425 0.00 0.00 H+0 HETATM 284 H UNK 0 -3.358 3.215 -0.349 0.00 0.00 H+0 HETATM 285 H UNK 0 -4.162 5.692 -0.906 0.00 0.00 H+0 CONECT 1 2 134 135 136 CONECT 2 1 3 137 138 CONECT 3 2 4 5 90 CONECT 4 3 139 140 141 CONECT 5 3 6 142 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 13 143 CONECT 9 8 10 144 145 CONECT 10 9 11 12 146 CONECT 11 10 147 148 149 CONECT 12 10 150 151 152 CONECT 13 8 14 153 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 154 155 CONECT 17 16 18 156 157 CONECT 18 17 19 158 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 23 159 CONECT 22 21 160 CONECT 23 21 24 25 26 CONECT 24 23 161 162 163 CONECT 25 23 164 165 166 CONECT 26 23 27 167 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 31 168 CONECT 30 29 169 170 171 CONECT 31 29 32 172 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 38 173 CONECT 35 34 36 174 175 CONECT 36 35 37 176 177 CONECT 37 36 38 178 179 CONECT 38 37 39 34 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 43 45 CONECT 42 41 180 181 182 CONECT 43 41 44 183 184 CONECT 44 43 185 186 187 CONECT 45 41 46 188 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 56 189 CONECT 49 48 50 190 191 CONECT 50 49 51 55 CONECT 51 50 52 192 CONECT 52 51 53 193 CONECT 53 52 54 194 CONECT 54 53 55 195 CONECT 55 54 50 196 CONECT 56 48 57 197 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 61 62 CONECT 60 59 198 199 200 CONECT 61 59 201 202 203 CONECT 62 59 63 204 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 67 68 CONECT 66 65 205 206 207 CONECT 67 65 208 209 210 CONECT 68 65 69 211 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 73 212 CONECT 72 71 213 214 215 CONECT 73 71 74 216 CONECT 74 73 75 76 CONECT 75 74 CONECT 76 74 77 80 217 CONECT 77 76 78 218 219 CONECT 78 77 79 220 221 CONECT 79 78 80 222 223 CONECT 80 79 81 76 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 84 85 86 CONECT 84 83 224 225 226 CONECT 85 83 227 228 229 CONECT 86 83 87 230 CONECT 87 86 88 89 CONECT 88 87 231 232 233 CONECT 89 87 CONECT 90 3 91 92 CONECT 91 90 CONECT 92 90 93 234 CONECT 93 92 94 235 236 CONECT 94 93 95 237 238 CONECT 95 94 96 97 CONECT 96 95 CONECT 97 95 98 239 CONECT 98 97 99 103 240 CONECT 99 98 100 241 242 CONECT 100 99 101 102 243 CONECT 101 100 244 245 246 CONECT 102 100 247 248 249 CONECT 103 98 104 105 CONECT 104 103 CONECT 105 103 106 250 CONECT 106 105 107 108 109 CONECT 107 106 251 252 253 CONECT 108 106 254 255 256 CONECT 109 106 110 111 CONECT 110 109 CONECT 111 109 112 257 CONECT 112 111 113 114 115 CONECT 113 112 258 259 260 CONECT 114 112 261 262 263 CONECT 115 112 116 117 CONECT 116 115 CONECT 117 115 118 264 CONECT 118 117 119 123 265 CONECT 119 118 120 266 267 CONECT 120 119 121 122 268 CONECT 121 120 269 270 271 CONECT 122 120 272 273 274 CONECT 123 118 124 125 CONECT 124 123 CONECT 125 123 126 275 CONECT 126 125 127 276 277 CONECT 127 126 128 278 279 CONECT 128 127 129 130 CONECT 129 128 CONECT 130 128 131 280 CONECT 131 130 132 281 282 CONECT 132 131 133 283 284 CONECT 133 132 285 CONECT 134 1 CONECT 135 1 CONECT 136 1 CONECT 137 2 CONECT 138 2 CONECT 139 4 CONECT 140 4 CONECT 141 4 CONECT 142 5 CONECT 143 8 CONECT 144 9 CONECT 145 9 CONECT 146 10 CONECT 147 11 CONECT 148 11 CONECT 149 11 CONECT 150 12 CONECT 151 12 CONECT 152 12 CONECT 153 13 CONECT 154 16 CONECT 155 16 CONECT 156 17 CONECT 157 17 CONECT 158 18 CONECT 159 21 CONECT 160 22 CONECT 161 24 CONECT 162 24 CONECT 163 24 CONECT 164 25 CONECT 165 25 CONECT 166 25 CONECT 167 26 CONECT 168 29 CONECT 169 30 CONECT 170 30 CONECT 171 30 CONECT 172 31 CONECT 173 34 CONECT 174 35 CONECT 175 35 CONECT 176 36 CONECT 177 36 CONECT 178 37 CONECT 179 37 CONECT 180 42 CONECT 181 42 CONECT 182 42 CONECT 183 43 CONECT 184 43 CONECT 185 44 CONECT 186 44 CONECT 187 44 CONECT 188 45 CONECT 189 48 CONECT 190 49 CONECT 191 49 CONECT 192 51 CONECT 193 52 CONECT 194 53 CONECT 195 54 CONECT 196 55 CONECT 197 56 CONECT 198 60 CONECT 199 60 CONECT 200 60 CONECT 201 61 CONECT 202 61 CONECT 203 61 CONECT 204 62 CONECT 205 66 CONECT 206 66 CONECT 207 66 CONECT 208 67 CONECT 209 67 CONECT 210 67 CONECT 211 68 CONECT 212 71 CONECT 213 72 CONECT 214 72 CONECT 215 72 CONECT 216 73 CONECT 217 76 CONECT 218 77 CONECT 219 77 CONECT 220 78 CONECT 221 78 CONECT 222 79 CONECT 223 79 CONECT 224 84 CONECT 225 84 CONECT 226 84 CONECT 227 85 CONECT 228 85 CONECT 229 85 CONECT 230 86 CONECT 231 88 CONECT 232 88 CONECT 233 88 CONECT 234 92 CONECT 235 93 CONECT 236 93 CONECT 237 94 CONECT 238 94 CONECT 239 97 CONECT 240 98 CONECT 241 99 CONECT 242 99 CONECT 243 100 CONECT 244 101 CONECT 245 101 CONECT 246 101 CONECT 247 102 CONECT 248 102 CONECT 249 102 CONECT 250 105 CONECT 251 107 CONECT 252 107 CONECT 253 107 CONECT 254 108 CONECT 255 108 CONECT 256 108 CONECT 257 111 CONECT 258 113 CONECT 259 113 CONECT 260 113 CONECT 261 114 CONECT 262 114 CONECT 263 114 CONECT 264 117 CONECT 265 118 CONECT 266 119 CONECT 267 119 CONECT 268 120 CONECT 269 121 CONECT 270 121 CONECT 271 121 CONECT 272 122 CONECT 273 122 CONECT 274 122 CONECT 275 125 CONECT 276 126 CONECT 277 126 CONECT 278 127 CONECT 279 127 CONECT 280 130 CONECT 281 131 CONECT 282 131 CONECT 283 132 CONECT 284 132 CONECT 285 133 MASTER 0 0 0 0 0 0 0 0 285 0 574 0 END SMILES for NP0013802 (Microbacterin A)[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@](N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@](N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0013802 (Microbacterin A)InChI=1S/C91H152N20O22/c1-26-90(24,81(131)95-42-39-66(116)98-59(48-52(5)6)71(121)105-88(20,21)80(130)109-85(14,15)77(127)100-58(47-51(3)4)70(120)93-40-37-64(114)92-43-46-112)106-72(122)60(49-53(7)8)99-65(115)38-41-94-76(126)67(117)84(12,13)103-68(118)54(9)96-75(125)63-36-32-45-111(63)83(133)91(25,27-2)107-73(123)61(50-57-33-29-28-30-34-57)101-78(128)86(16,17)108-79(129)87(18,19)104-69(119)55(10)97-74(124)62-35-31-44-110(62)82(132)89(22,23)102-56(11)113/h28-30,33-34,51-55,58-63,67,112,117H,26-27,31-32,35-50H2,1-25H3,(H,92,114)(H,93,120)(H,94,126)(H,95,131)(H,96,125)(H,97,124)(H,98,116)(H,99,115)(H,100,127)(H,101,128)(H,102,113)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,129)(H,109,130)/t54-,55-,58-,59-,60-,61-,62-,63-,67-,90+,91+/m0/s1 3D Structure for NP0013802 (Microbacterin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C91H152N20O22 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1878.3350 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1877.13901 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 2-{3-[(2R)-2-[(2S)-2-{3-[(2R)-3-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-2-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-hydroxy-3-methylbutanamido]propanamido}-4-methylpentanamido]-2-methylbutanamido]propanamido}-N-{1-[(1-{[(1S)-1-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}-4-methylpentanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 2-{3-[(2R)-2-[(2S)-2-{3-[(2R)-3-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-(2-{2-[(2S)-2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-2-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-hydroxy-3-methylbutanamido]propanamido}-4-methylpentanamido]-2-methylbutanamido]propanamido}-N-{1-[(1-{[(1S)-1-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}-4-methylpentanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@](C)(CC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O)C(=O)NCCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCCO | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C91H152N20O22/c1-26-90(24,81(131)95-42-39-66(116)98-59(48-52(5)6)71(121)105-88(20,21)80(130)109-85(14,15)77(127)100-58(47-51(3)4)70(120)93-40-37-64(114)92-43-46-112)106-72(122)60(49-53(7)8)99-65(115)38-41-94-76(126)67(117)84(12,13)103-68(118)54(9)96-75(125)63-36-32-45-111(63)83(133)91(25,27-2)107-73(123)61(50-57-33-29-28-30-34-57)101-78(128)86(16,17)108-79(129)87(18,19)104-69(119)55(10)97-74(124)62-35-31-44-110(62)82(132)89(22,23)102-56(11)113/h28-30,33-34,51-55,58-63,67,112,117H,26-27,31-32,35-50H2,1-25H3,(H,92,114)(H,93,120)(H,94,126)(H,95,131)(H,96,125)(H,97,124)(H,98,116)(H,99,115)(H,100,127)(H,101,128)(H,102,113)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,129)(H,109,130)/t54-,55-,58-,59-,60-,61-,62-,63-,67-,90+,91+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZIWFEHAHHMAUGF-NOXNPAQRSA-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 | NPA020217 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78438691 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139588738 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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