Showing NP-Card for Myropeptin B (NP0020564)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 05:58:09 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:34:00 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0020564 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Myropeptin B | ||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Myropeptin B is found in Myrothecium and Paramyrothecium roridum. Myropeptin B was first documented in 2019 (PMID: 31497968). Based on a literature review very few articles have been published on Myropeptin B. | ||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0020564 (Myropeptin B)
Mrv1652307042107523D
263265 0 0 0 0 999 V2000
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121263 1 0 0 0 0
M END
3D MOL for NP0020564 (Myropeptin B)
RDKit 3D
263265 0 0 0 0 0 0 0 0999 V2000
-14.7273 -6.4459 -2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3317 0.2210 3.7447 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.8959 2.1100 -7.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5148 3.3135 -5.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5878 6.9710 1.1937 C 0 0 2 0 0 0 0 0 0 0 0 0
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4.2342 3.3289 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6495 2.1007 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5127 6.3053 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.7162 5.0361 -3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2415 7.6316 -3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6531 9.1936 -5.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4121 9.4630 -5.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.8398 11.0936 -4.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0801 11.2092 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8438 10.0056 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6237 11.6920 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8285 12.4755 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2783 11.8235 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1005 8.0572 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 5.8958 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5202 7.3612 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 5.9391 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2649 7.9565 3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6447 6.2832 3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4722 7.6148 2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8995 4.3592 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6469 3.4697 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4132 3.2738 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.4947 3.1586 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6894 4.3243 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.2260 1.1936 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
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118262 1 0
121263 1 0
M END
3D SDF for NP0020564 (Myropeptin B)
Mrv1652307042107523D
263265 0 0 0 0 999 V2000
-14.7273 -6.4459 -2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6756 -7.2240 -3.1402 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3431 -6.5251 -3.1339 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.9028 -6.3794 -1.6736 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.5686 -5.6950 -1.6060 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1296 -5.6481 -0.1326 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.7895 -4.9897 -0.0650 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2444 -5.1016 1.3716 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9001 -4.4772 1.3712 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8584 -2.9690 1.2084 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4274 -2.6441 0.9928 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9419 -1.2900 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1000 -0.6787 2.1549 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3193 -0.5889 -0.0443 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7651 0.7438 0.1277 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5222 0.4728 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 1.3213 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 1.6669 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8318 1.4204 0.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1067 2.7824 1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9607 3.6273 2.5097 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3904 5.0009 2.3862 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1221 4.8429 1.6136 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8004 3.3368 1.7787 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1668 3.2283 3.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 3.9292 4.0490 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 2.3676 3.3854 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 2.2396 4.6520 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5052 2.0037 5.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3921 3.4087 5.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 0.9558 4.7546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 0.2210 3.7447 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0927 0.6141 5.9091 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 -0.5739 6.1639 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3624 -0.4729 7.5995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8402 -1.7557 6.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9303 -0.9327 5.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 -0.1801 4.2661 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7349 -2.0723 5.4335 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5390 -3.0102 6.5683 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5307 -4.3342 5.8213 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2229 -4.0731 4.4821 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8234 -2.6922 4.7823 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5579 -2.1270 3.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4159 -0.9615 3.3011 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5047 -2.9745 3.0306 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3716 -2.6561 1.9562 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3885 -1.5768 2.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1536 -3.8644 1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6338 -2.1587 0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4127 -1.9974 0.9013 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2752 -1.8931 -0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4442 -1.3516 -1.5843 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8338 -0.0581 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2341 -2.3432 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1150 -1.3763 -2.8707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5909 -2.5822 -3.1581 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3393 -0.3842 -3.8342 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8366 -0.7234 -5.1909 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7844 0.4144 -5.4921 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8038 1.2875 -4.2788 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3355 1.0093 -3.7632 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4598 1.8340 -4.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8871 3.0624 -4.7671 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2220 1.5844 -5.1908 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5461 2.6167 -5.9683 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8959 2.1100 -7.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5148 3.3135 -5.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0152 2.7590 -4.1721 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1269 4.6220 -5.5154 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 5.3938 -4.7566 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7914 4.7351 -4.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 5.3805 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0208 6.7695 -5.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 6.9532 -6.4881 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 7.8160 -4.4831 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 9.1650 -5.0122 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9412 10.0910 -3.8624 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9515 9.9953 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 9.2894 -3.0168 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8471 10.6119 -1.5624 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9616 10.3695 -0.6031 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2014 11.6137 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3692 9.2423 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2059 9.4772 0.6359 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1117 8.0741 0.4633 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 6.9710 1.1937 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2009 6.5216 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 7.2446 2.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4389 5.7457 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6362 6.0013 0.6054 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 4.4674 0.9239 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5863 3.2470 0.6030 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7035 2.9904 1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2342 3.3289 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6495 2.1007 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8451 1.9839 1.5184 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 1.1363 -0.4704 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6011 0.0559 -0.4115 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8603 -0.8621 0.7413 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8379 -1.9095 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -1.9489 0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 -2.8936 1.9419 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -3.8910 2.0931 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2098 -4.8558 3.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3992 -3.1855 2.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3619 -4.6976 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 -4.5389 -0.1063 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7921 -6.4014 -0.3269 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0032 -7.2766 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 -7.3346 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0
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-12.6960 -5.8397 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.7327 -2.8469 7.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.4946 -4.6959 5.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1689 -5.0313 6.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9655 -4.8327 4.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4328 -3.9700 3.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5727 -2.9618 5.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 -3.9700 3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7054 -1.7735 3.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9898 -0.5564 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2501 -1.7080 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0449 -4.0277 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5488 -4.7828 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6218 -3.6595 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2781 -2.0393 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3881 0.4819 -2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 -0.2234 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5813 0.5939 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9295 -2.2881 -2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6062 -3.3255 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3931 -1.9406 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9454 -0.6449 -5.8643 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3019 -1.7137 -5.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4518 1.0247 -6.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7968 -0.0128 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4398 0.8654 -3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9376 2.3505 -4.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3611 1.3872 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7728 0.6657 -5.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 3.4150 -6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9936 1.0061 -7.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4754 2.5125 -8.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8222 2.3804 -7.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5333 5.1139 -6.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5604 4.4409 -5.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7619 3.8306 -4.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0590 5.4860 -4.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5127 6.3053 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0955 4.5905 -2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7162 5.0361 -3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2415 7.6316 -3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6531 9.1936 -5.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4121 9.4630 -5.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0436 9.7729 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8398 11.0936 -4.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0801 11.2092 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8438 10.0056 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6237 11.6920 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8285 12.4755 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2783 11.8235 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1005 8.0572 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 5.8958 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5202 7.3612 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 5.9391 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2649 7.9565 3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6447 6.2832 3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4722 7.6148 2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8995 4.3592 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6469 3.4697 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4132 3.2738 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9537 1.8995 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4947 3.1586 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6894 4.3243 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0716 2.6141 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2260 1.1936 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6462 0.6120 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 -0.4522 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8655 -1.3252 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9698 -0.3239 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7407 -2.8207 2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8868 -5.6837 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -5.3690 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6843 -4.3612 4.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 -2.8626 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2495 -2.3881 3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 -3.9500 2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 -5.7018 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9553 -6.7059 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9601 -7.7493 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.1024 -4.4743 -4.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 -6.0637 -3.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2467 -4.2344 -6.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
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112255 1 0 0 0 0
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117259 1 0 0 0 0
118260 1 0 0 0 0
118261 1 0 0 0 0
118262 1 0 0 0 0
121263 1 0 0 0 0
M END
> <DATABASE_ID>
NP0020564
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])C([H])([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@@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]3([H])N(C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])(C([H])([H])[H])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])C([H])([H])C1([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])[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])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/m0/s1
> <INCHI_KEY>
JOSZEHOSQKJAHT-QDDNDEIWSA-N
> <FORMULA>
C83H142N18O20
> <MOLECULAR_WEIGHT>
1712.155
> <EXACT_MASS>
1711.064779044
> <JCHEM_ACCEPTOR_COUNT>
20
> <JCHEM_ATOM_COUNT>
263
> <JCHEM_AVERAGE_POLARIZABILITY>
185.91025871369803
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanoic acid
> <JCHEM_LOGP>
-0.26411536733333674
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.451723417828005
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.003706579471546
> <JCHEM_POLAR_SURFACE_AREA>
534.7299999999998
> <JCHEM_REFRACTIVITY>
445.35740000000004
> <JCHEM_ROTATABLE_BOND_COUNT>
45
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0020564 (Myropeptin B)
RDKit 3D
263265 0 0 0 0 0 0 0 0999 V2000
-14.7273 -6.4459 -2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6756 -7.2240 -3.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3431 -6.5251 -3.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9028 -6.3794 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5686 -5.6950 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1296 -5.6481 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7895 -4.9897 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2444 -5.1016 1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9001 -4.4772 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8584 -2.9690 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4274 -2.6441 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9419 -1.2900 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1000 -0.6787 2.1549 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3193 -0.5889 -0.0443 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7651 0.7438 0.1277 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5222 0.4728 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 1.3213 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 1.6669 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8318 1.4204 0.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1067 2.7824 1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9607 3.6273 2.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3904 5.0009 2.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1221 4.8429 1.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8004 3.3368 1.7787 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1668 3.2283 3.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 3.9292 4.0490 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 2.3676 3.3854 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 2.2396 4.6520 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5052 2.0037 5.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3921 3.4087 5.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 0.9558 4.7546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 0.2210 3.7447 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0927 0.6141 5.9091 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 -0.5739 6.1639 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3624 -0.4729 7.5995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8402 -1.7557 6.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9303 -0.9327 5.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1330 -0.1801 4.2661 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0020564 (Myropeptin B)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 -14.727 -6.446 -2.409 0.00 0.00 C+0 HETATM 2 C UNK 0 -13.676 -7.224 -3.140 0.00 0.00 C+0 HETATM 3 C UNK 0 -12.343 -6.525 -3.134 0.00 0.00 C+0 HETATM 4 C UNK 0 -11.903 -6.379 -1.674 0.00 0.00 C+0 HETATM 5 C UNK 0 -10.569 -5.695 -1.606 0.00 0.00 C+0 HETATM 6 C UNK 0 -10.130 -5.648 -0.133 0.00 0.00 C+0 HETATM 7 C UNK 0 -8.790 -4.990 -0.065 0.00 0.00 C+0 HETATM 8 C UNK 0 -8.244 -5.102 1.372 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.900 -4.477 1.371 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.858 -2.969 1.208 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.427 -2.644 0.993 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.942 -1.290 1.021 0.00 0.00 C+0 HETATM 13 O UNK 0 -5.100 -0.679 2.155 0.00 0.00 O+0 HETATM 14 N UNK 0 -4.319 -0.589 -0.044 0.00 0.00 N+0 HETATM 15 C UNK 0 -3.765 0.744 0.128 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.522 0.473 1.027 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.299 1.321 -1.155 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.582 1.667 0.941 0.00 0.00 C+0 HETATM 19 O UNK 0 -5.832 1.420 0.982 0.00 0.00 O+0 HETATM 20 N UNK 0 -4.107 2.782 1.676 0.00 0.00 N+0 HETATM 21 C UNK 0 -4.961 3.627 2.510 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.390 5.001 2.386 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.122 4.843 1.614 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.800 3.337 1.779 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.167 3.228 3.146 0.00 0.00 C+0 HETATM 26 O UNK 0 -2.667 3.929 4.049 0.00 0.00 O+0 HETATM 27 N UNK 0 -1.061 2.368 3.385 0.00 0.00 N+0 HETATM 28 C UNK 0 -0.435 2.240 4.652 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.505 2.004 5.742 0.00 0.00 C+0 HETATM 30 C UNK 0 0.392 3.409 5.032 0.00 0.00 C+0 HETATM 31 C UNK 0 0.369 0.956 4.755 0.00 0.00 C+0 HETATM 32 O UNK 0 0.332 0.221 3.745 0.00 0.00 O+0 HETATM 33 N UNK 0 1.093 0.614 5.909 0.00 0.00 N+0 HETATM 34 C UNK 0 1.838 -0.574 6.164 0.00 0.00 C+0 HETATM 35 C UNK 0 2.362 -0.473 7.599 0.00 0.00 C+0 HETATM 36 C UNK 0 0.840 -1.756 6.112 0.00 0.00 C+0 HETATM 37 C UNK 0 2.930 -0.933 5.244 0.00 0.00 C+0 HETATM 38 O UNK 0 3.133 -0.180 4.266 0.00 0.00 O+0 HETATM 39 N UNK 0 3.735 -2.072 5.434 0.00 0.00 N+0 HETATM 40 C UNK 0 3.539 -3.010 6.568 0.00 0.00 C+0 HETATM 41 C UNK 0 3.531 -4.334 5.821 0.00 0.00 C+0 HETATM 42 C UNK 0 4.223 -4.073 4.482 0.00 0.00 C+0 HETATM 43 C UNK 0 4.823 -2.692 4.782 0.00 0.00 C+0 HETATM 44 C UNK 0 5.558 -2.127 3.690 0.00 0.00 C+0 HETATM 45 O UNK 0 5.416 -0.962 3.301 0.00 0.00 O+0 HETATM 46 N UNK 0 6.505 -2.974 3.031 0.00 0.00 N+0 HETATM 47 C UNK 0 7.372 -2.656 1.956 0.00 0.00 C+0 HETATM 48 C UNK 0 8.389 -1.577 2.357 0.00 0.00 C+0 HETATM 49 C UNK 0 8.154 -3.864 1.533 0.00 0.00 C+0 HETATM 50 C UNK 0 6.634 -2.159 0.737 0.00 0.00 C+0 HETATM 51 O UNK 0 5.413 -1.997 0.901 0.00 0.00 O+0 HETATM 52 N UNK 0 7.275 -1.893 -0.488 0.00 0.00 N+0 HETATM 53 C UNK 0 6.444 -1.352 -1.584 0.00 0.00 C+0 HETATM 54 C UNK 0 5.834 -0.058 -1.220 0.00 0.00 C+0 HETATM 55 C UNK 0 5.234 -2.343 -1.720 0.00 0.00 C+0 HETATM 56 C UNK 0 7.115 -1.376 -2.871 0.00 0.00 C+0 HETATM 57 O UNK 0 7.591 -2.582 -3.158 0.00 0.00 O+0 HETATM 58 N UNK 0 7.339 -0.384 -3.834 0.00 0.00 N+0 HETATM 59 C UNK 0 7.837 -0.723 -5.191 0.00 0.00 C+0 HETATM 60 C UNK 0 8.784 0.414 -5.492 0.00 0.00 C+0 HETATM 61 C UNK 0 8.804 1.288 -4.279 0.00 0.00 C+0 HETATM 62 C UNK 0 7.335 1.009 -3.763 0.00 0.00 C+0 HETATM 63 C UNK 0 6.460 1.834 -4.568 0.00 0.00 C+0 HETATM 64 O UNK 0 6.887 3.062 -4.767 0.00 0.00 O+0 HETATM 65 N UNK 0 5.222 1.584 -5.191 0.00 0.00 N+0 HETATM 66 C UNK 0 4.546 2.617 -5.968 0.00 0.00 C+0 HETATM 67 C UNK 0 3.896 2.110 -7.214 0.00 0.00 C+0 HETATM 68 C UNK 0 3.515 3.313 -5.154 0.00 0.00 C+0 HETATM 69 O UNK 0 3.015 2.759 -4.172 0.00 0.00 O+0 HETATM 70 N UNK 0 3.127 4.622 -5.515 0.00 0.00 N+0 HETATM 71 C UNK 0 2.155 5.394 -4.757 0.00 0.00 C+0 HETATM 72 C UNK 0 0.791 4.735 -4.771 0.00 0.00 C+0 HETATM 73 C UNK 0 2.687 5.380 -3.314 0.00 0.00 C+0 HETATM 74 C UNK 0 2.021 6.769 -5.279 0.00 0.00 C+0 HETATM 75 O UNK 0 2.386 6.953 -6.488 0.00 0.00 O+0 HETATM 76 N UNK 0 1.527 7.816 -4.483 0.00 0.00 N+0 HETATM 77 C UNK 0 1.408 9.165 -5.012 0.00 0.00 C+0 HETATM 78 C UNK 0 0.941 10.091 -3.862 0.00 0.00 C+0 HETATM 79 C UNK 0 1.952 9.995 -2.799 0.00 0.00 C+0 HETATM 80 O UNK 0 3.007 9.289 -3.017 0.00 0.00 O+0 HETATM 81 N UNK 0 1.847 10.612 -1.562 0.00 0.00 N+0 HETATM 82 C UNK 0 2.962 10.370 -0.603 0.00 0.00 C+0 HETATM 83 C UNK 0 3.201 11.614 0.154 0.00 0.00 C+0 HETATM 84 C UNK 0 2.369 9.242 0.232 0.00 0.00 C+0 HETATM 85 O UNK 0 1.206 9.477 0.636 0.00 0.00 O+0 HETATM 86 N UNK 0 3.112 8.074 0.463 0.00 0.00 N+0 HETATM 87 C UNK 0 2.588 6.971 1.194 0.00 0.00 C+0 HETATM 88 C UNK 0 1.201 6.522 0.690 0.00 0.00 C+0 HETATM 89 C UNK 0 2.504 7.245 2.643 0.00 0.00 C+0 HETATM 90 C UNK 0 3.439 5.746 0.895 0.00 0.00 C+0 HETATM 91 O UNK 0 4.636 6.001 0.605 0.00 0.00 O+0 HETATM 92 N UNK 0 2.918 4.467 0.924 0.00 0.00 N+0 HETATM 93 C UNK 0 3.586 3.247 0.603 0.00 0.00 C+0 HETATM 94 C UNK 0 4.704 2.990 1.556 0.00 0.00 C+0 HETATM 95 C UNK 0 4.234 3.329 -0.791 0.00 0.00 C+0 HETATM 96 C UNK 0 2.650 2.101 0.566 0.00 0.00 C+0 HETATM 97 O UNK 0 1.845 1.984 1.518 0.00 0.00 O+0 HETATM 98 N UNK 0 2.587 1.136 -0.470 0.00 0.00 N+0 HETATM 99 C UNK 0 1.601 0.056 -0.412 0.00 0.00 C+0 HETATM 100 C UNK 0 1.860 -0.862 0.741 0.00 0.00 C+0 HETATM 101 C UNK 0 0.838 -1.910 0.893 0.00 0.00 C+0 HETATM 102 O UNK 0 -0.124 -1.949 0.099 0.00 0.00 O+0 HETATM 103 N UNK 0 0.915 -2.894 1.942 0.00 0.00 N+0 HETATM 104 C UNK 0 -0.103 -3.891 2.093 0.00 0.00 C+0 HETATM 105 C UNK 0 0.210 -4.856 3.221 0.00 0.00 C+0 HETATM 106 C UNK 0 -1.399 -3.186 2.468 0.00 0.00 C+0 HETATM 107 C UNK 0 -0.362 -4.698 0.871 0.00 0.00 C+0 HETATM 108 O UNK 0 0.415 -4.539 -0.106 0.00 0.00 O+0 HETATM 109 N UNK 0 -1.429 -5.600 0.787 0.00 0.00 N+0 HETATM 110 C UNK 0 -1.792 -6.401 -0.327 0.00 0.00 C+0 HETATM 111 C UNK 0 -3.003 -7.277 -0.048 0.00 0.00 C+0 HETATM 112 C UNK 0 -0.692 -7.335 -0.778 0.00 0.00 C+0 HETATM 113 C UNK 0 -2.148 -5.532 -1.490 0.00 0.00 C+0 HETATM 114 O UNK 0 -1.553 -4.453 -1.646 0.00 0.00 O+0 HETATM 115 N UNK 0 -3.153 -5.874 -2.441 0.00 0.00 N+0 HETATM 116 C UNK 0 -3.396 -4.941 -3.511 0.00 0.00 C+0 HETATM 117 C UNK 0 -3.715 -3.604 -2.852 0.00 0.00 C+0 HETATM 118 C UNK 0 -4.574 -5.385 -4.371 0.00 0.00 C+0 HETATM 119 C UNK 0 -2.221 -4.795 -4.385 0.00 0.00 C+0 HETATM 120 O UNK 0 -1.196 -5.482 -4.123 0.00 0.00 O+0 HETATM 121 O UNK 0 -2.182 -3.949 -5.466 0.00 0.00 O+0 HETATM 122 H UNK 0 -15.662 -6.508 -3.027 0.00 0.00 H+0 HETATM 123 H UNK 0 -14.400 -5.366 -2.317 0.00 0.00 H+0 HETATM 124 H UNK 0 -14.946 -6.871 -1.422 0.00 0.00 H+0 HETATM 125 H UNK 0 -13.994 -7.454 -4.175 0.00 0.00 H+0 HETATM 126 H UNK 0 -13.603 -8.223 -2.612 0.00 0.00 H+0 HETATM 127 H UNK 0 -12.374 -5.553 -3.627 0.00 0.00 H+0 HETATM 128 H UNK 0 -11.614 -7.192 -3.655 0.00 0.00 H+0 HETATM 129 H UNK 0 -11.867 -7.401 -1.241 0.00 0.00 H+0 HETATM 130 H UNK 0 -12.696 -5.840 -1.148 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.803 -6.326 -2.108 0.00 0.00 H+0 HETATM 132 H UNK 0 -10.563 -4.684 -2.043 0.00 0.00 H+0 HETATM 133 H UNK 0 -10.069 -6.661 0.256 0.00 0.00 H+0 HETATM 134 H UNK 0 -10.863 -5.034 0.445 0.00 0.00 H+0 HETATM 135 H UNK 0 -8.107 -5.489 -0.785 0.00 0.00 H+0 HETATM 136 H UNK 0 -8.867 -3.932 -0.391 0.00 0.00 H+0 HETATM 137 H UNK 0 -8.131 -6.184 1.551 0.00 0.00 H+0 HETATM 138 H UNK 0 -8.949 -4.665 2.088 0.00 0.00 H+0 HETATM 139 H UNK 0 -6.306 -4.724 2.287 0.00 0.00 H+0 HETATM 140 H UNK 0 -6.268 -4.910 0.529 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.327 -2.426 2.031 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.441 -2.673 0.281 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.869 -3.195 1.830 0.00 0.00 H+0 HETATM 144 H UNK 0 -5.103 -3.216 0.078 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.251 -1.036 -0.974 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.327 -0.653 1.007 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.733 0.693 2.058 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.613 0.892 0.598 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.152 1.750 -1.746 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.772 0.523 -1.732 0.00 0.00 H+0 HETATM 151 H UNK 0 -2.534 2.093 -0.971 0.00 0.00 H+0 HETATM 152 H UNK 0 -4.941 3.248 3.569 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.008 3.625 2.201 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.068 5.686 1.791 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.205 5.482 3.362 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.288 5.059 0.537 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.255 5.409 2.011 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.074 3.085 1.003 0.00 0.00 H+0 HETATM 159 H UNK 0 -0.680 1.815 2.596 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.010 2.944 6.021 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.927 1.716 6.660 0.00 0.00 H+0 HETATM 162 H UNK 0 -2.155 1.170 5.486 0.00 0.00 H+0 HETATM 163 H UNK 0 1.369 3.428 4.475 0.00 0.00 H+0 HETATM 164 H UNK 0 0.549 3.473 6.135 0.00 0.00 H+0 HETATM 165 H UNK 0 -0.077 4.392 4.729 0.00 0.00 H+0 HETATM 166 H UNK 0 1.066 1.357 6.679 0.00 0.00 H+0 HETATM 167 H UNK 0 1.724 -1.030 8.306 0.00 0.00 H+0 HETATM 168 H UNK 0 3.441 -0.664 7.678 0.00 0.00 H+0 HETATM 169 H UNK 0 2.260 0.606 7.959 0.00 0.00 H+0 HETATM 170 H UNK 0 -0.135 -1.385 5.688 0.00 0.00 H+0 HETATM 171 H UNK 0 1.242 -2.586 5.514 0.00 0.00 H+0 HETATM 172 H UNK 0 0.578 -2.129 7.112 0.00 0.00 H+0 HETATM 173 H UNK 0 2.733 -2.847 7.215 0.00 0.00 H+0 HETATM 174 H UNK 0 4.508 -2.942 7.166 0.00 0.00 H+0 HETATM 175 H UNK 0 2.495 -4.696 5.669 0.00 0.00 H+0 HETATM 176 H UNK 0 4.169 -5.031 6.392 0.00 0.00 H+0 HETATM 177 H UNK 0 4.965 -4.833 4.267 0.00 0.00 H+0 HETATM 178 H UNK 0 3.433 -3.970 3.724 0.00 0.00 H+0 HETATM 179 H UNK 0 5.573 -2.962 5.647 0.00 0.00 H+0 HETATM 180 H UNK 0 6.559 -3.970 3.395 0.00 0.00 H+0 HETATM 181 H UNK 0 8.705 -1.774 3.377 0.00 0.00 H+0 HETATM 182 H UNK 0 7.990 -0.556 2.192 0.00 0.00 H+0 HETATM 183 H UNK 0 9.250 -1.708 1.677 0.00 0.00 H+0 HETATM 184 H UNK 0 9.045 -4.028 2.210 0.00 0.00 H+0 HETATM 185 H UNK 0 7.549 -4.783 1.450 0.00 0.00 H+0 HETATM 186 H UNK 0 8.622 -3.660 0.544 0.00 0.00 H+0 HETATM 187 H UNK 0 8.278 -2.039 -0.692 0.00 0.00 H+0 HETATM 188 H UNK 0 5.388 0.482 -2.071 0.00 0.00 H+0 HETATM 189 H UNK 0 4.968 -0.223 -0.490 0.00 0.00 H+0 HETATM 190 H UNK 0 6.581 0.594 -0.733 0.00 0.00 H+0 HETATM 191 H UNK 0 4.930 -2.288 -2.786 0.00 0.00 H+0 HETATM 192 H UNK 0 5.606 -3.325 -1.396 0.00 0.00 H+0 HETATM 193 H UNK 0 4.393 -1.941 -1.149 0.00 0.00 H+0 HETATM 194 H UNK 0 6.945 -0.645 -5.864 0.00 0.00 H+0 HETATM 195 H UNK 0 8.302 -1.714 -5.217 0.00 0.00 H+0 HETATM 196 H UNK 0 8.452 1.025 -6.347 0.00 0.00 H+0 HETATM 197 H UNK 0 9.797 -0.013 -5.629 0.00 0.00 H+0 HETATM 198 H UNK 0 9.440 0.865 -3.472 0.00 0.00 H+0 HETATM 199 H UNK 0 8.938 2.350 -4.460 0.00 0.00 H+0 HETATM 200 H UNK 0 7.361 1.387 -2.688 0.00 0.00 H+0 HETATM 201 H UNK 0 4.773 0.666 -5.100 0.00 0.00 H+0 HETATM 202 H UNK 0 5.326 3.415 -6.151 0.00 0.00 H+0 HETATM 203 H UNK 0 3.994 1.006 -7.240 0.00 0.00 H+0 HETATM 204 H UNK 0 4.475 2.513 -8.094 0.00 0.00 H+0 HETATM 205 H UNK 0 2.822 2.380 -7.309 0.00 0.00 H+0 HETATM 206 H UNK 0 3.533 5.114 -6.369 0.00 0.00 H+0 HETATM 207 H UNK 0 0.560 4.441 -5.806 0.00 0.00 H+0 HETATM 208 H UNK 0 0.762 3.831 -4.122 0.00 0.00 H+0 HETATM 209 H UNK 0 0.059 5.486 -4.420 0.00 0.00 H+0 HETATM 210 H UNK 0 2.513 6.305 -2.775 0.00 0.00 H+0 HETATM 211 H UNK 0 2.095 4.590 -2.788 0.00 0.00 H+0 HETATM 212 H UNK 0 3.716 5.036 -3.334 0.00 0.00 H+0 HETATM 213 H UNK 0 1.242 7.632 -3.513 0.00 0.00 H+0 HETATM 214 H UNK 0 0.653 9.194 -5.810 0.00 0.00 H+0 HETATM 215 H UNK 0 2.412 9.463 -5.365 0.00 0.00 H+0 HETATM 216 H UNK 0 -0.044 9.773 -3.513 0.00 0.00 H+0 HETATM 217 H UNK 0 0.840 11.094 -4.306 0.00 0.00 H+0 HETATM 218 H UNK 0 1.080 11.209 -1.256 0.00 0.00 H+0 HETATM 219 H UNK 0 3.844 10.006 -1.123 0.00 0.00 H+0 HETATM 220 H UNK 0 2.624 11.692 1.102 0.00 0.00 H+0 HETATM 221 H UNK 0 2.829 12.476 -0.463 0.00 0.00 H+0 HETATM 222 H UNK 0 4.278 11.823 0.352 0.00 0.00 H+0 HETATM 223 H UNK 0 4.101 8.057 0.054 0.00 0.00 H+0 HETATM 224 H UNK 0 1.270 5.896 -0.198 0.00 0.00 H+0 HETATM 225 H UNK 0 0.520 7.361 0.561 0.00 0.00 H+0 HETATM 226 H UNK 0 0.765 5.939 1.563 0.00 0.00 H+0 HETATM 227 H UNK 0 3.265 7.957 3.041 0.00 0.00 H+0 HETATM 228 H UNK 0 2.645 6.283 3.188 0.00 0.00 H+0 HETATM 229 H UNK 0 1.472 7.615 2.946 0.00 0.00 H+0 HETATM 230 H UNK 0 1.900 4.359 1.225 0.00 0.00 H+0 HETATM 231 H UNK 0 5.647 3.470 1.207 0.00 0.00 H+0 HETATM 232 H UNK 0 4.413 3.274 2.562 0.00 0.00 H+0 HETATM 233 H UNK 0 4.954 1.900 1.592 0.00 0.00 H+0 HETATM 234 H UNK 0 3.495 3.159 -1.572 0.00 0.00 H+0 HETATM 235 H UNK 0 4.689 4.324 -0.980 0.00 0.00 H+0 HETATM 236 H UNK 0 5.072 2.614 -0.870 0.00 0.00 H+0 HETATM 237 H UNK 0 3.226 1.194 -1.262 0.00 0.00 H+0 HETATM 238 H UNK 0 0.646 0.612 -0.131 0.00 0.00 H+0 HETATM 239 H UNK 0 1.430 -0.452 -1.346 0.00 0.00 H+0 HETATM 240 H UNK 0 2.865 -1.325 0.565 0.00 0.00 H+0 HETATM 241 H UNK 0 1.970 -0.324 1.694 0.00 0.00 H+0 HETATM 242 H UNK 0 1.741 -2.821 2.568 0.00 0.00 H+0 HETATM 243 H UNK 0 0.887 -5.684 2.841 0.00 0.00 H+0 HETATM 244 H UNK 0 -0.687 -5.369 3.627 0.00 0.00 H+0 HETATM 245 H UNK 0 0.684 -4.361 4.080 0.00 0.00 H+0 HETATM 246 H UNK 0 -1.957 -2.863 1.563 0.00 0.00 H+0 HETATM 247 H UNK 0 -1.250 -2.388 3.202 0.00 0.00 H+0 HETATM 248 H UNK 0 -2.070 -3.950 2.965 0.00 0.00 H+0 HETATM 249 H UNK 0 -2.034 -5.702 1.660 0.00 0.00 H+0 HETATM 250 H UNK 0 -3.116 -8.098 -0.783 0.00 0.00 H+0 HETATM 251 H UNK 0 -3.955 -6.706 -0.080 0.00 0.00 H+0 HETATM 252 H UNK 0 -2.960 -7.749 0.950 0.00 0.00 H+0 HETATM 253 H UNK 0 -0.762 -8.265 -0.145 0.00 0.00 H+0 HETATM 254 H UNK 0 0.312 -6.885 -0.721 0.00 0.00 H+0 HETATM 255 H UNK 0 -0.900 -7.673 -1.815 0.00 0.00 H+0 HETATM 256 H UNK 0 -3.674 -6.746 -2.349 0.00 0.00 H+0 HETATM 257 H UNK 0 -4.632 -3.144 -3.215 0.00 0.00 H+0 HETATM 258 H UNK 0 -3.734 -3.708 -1.761 0.00 0.00 H+0 HETATM 259 H UNK 0 -2.857 -2.901 -3.053 0.00 0.00 H+0 HETATM 260 H UNK 0 -4.258 -5.928 -5.277 0.00 0.00 H+0 HETATM 261 H UNK 0 -5.102 -4.474 -4.691 0.00 0.00 H+0 HETATM 262 H UNK 0 -5.231 -6.064 -3.768 0.00 0.00 H+0 HETATM 263 H UNK 0 -2.247 -4.234 -6.435 0.00 0.00 H+0 CONECT 1 2 122 123 124 CONECT 2 1 3 125 126 CONECT 3 2 4 127 128 CONECT 4 3 5 129 130 CONECT 5 4 6 131 132 CONECT 6 5 7 133 134 CONECT 7 6 8 135 136 CONECT 8 7 9 137 138 CONECT 9 8 10 139 140 CONECT 10 9 11 141 142 CONECT 11 10 12 143 144 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 145 CONECT 15 14 16 17 18 CONECT 16 15 146 147 148 CONECT 17 15 149 150 151 CONECT 18 15 19 20 CONECT 19 18 CONECT 20 18 21 24 CONECT 21 20 22 152 153 CONECT 22 21 23 154 155 CONECT 23 22 24 156 157 CONECT 24 23 25 20 158 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 159 CONECT 28 27 29 30 31 CONECT 29 28 160 161 162 CONECT 30 28 163 164 165 CONECT 31 28 32 33 CONECT 32 31 CONECT 33 31 34 166 CONECT 34 33 35 36 37 CONECT 35 34 167 168 169 CONECT 36 34 170 171 172 CONECT 37 34 38 39 CONECT 38 37 CONECT 39 37 40 43 CONECT 40 39 41 173 174 CONECT 41 40 42 175 176 CONECT 42 41 43 177 178 CONECT 43 42 44 39 179 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 180 CONECT 47 46 48 49 50 CONECT 48 47 181 182 183 CONECT 49 47 184 185 186 CONECT 50 47 51 52 CONECT 51 50 CONECT 52 50 53 187 CONECT 53 52 54 55 56 CONECT 54 53 188 189 190 CONECT 55 53 191 192 193 CONECT 56 53 57 58 CONECT 57 56 CONECT 58 56 59 62 CONECT 59 58 60 194 195 CONECT 60 59 61 196 197 CONECT 61 60 62 198 199 CONECT 62 61 63 58 200 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 201 CONECT 66 65 67 68 202 CONECT 67 66 203 204 205 CONECT 68 66 69 70 CONECT 69 68 CONECT 70 68 71 206 CONECT 71 70 72 73 74 CONECT 72 71 207 208 209 CONECT 73 71 210 211 212 CONECT 74 71 75 76 CONECT 75 74 CONECT 76 74 77 213 CONECT 77 76 78 214 215 CONECT 78 77 79 216 217 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 218 CONECT 82 81 83 84 219 CONECT 83 82 220 221 222 CONECT 84 82 85 86 CONECT 85 84 CONECT 86 84 87 223 CONECT 87 86 88 89 90 CONECT 88 87 224 225 226 CONECT 89 87 227 228 229 CONECT 90 87 91 92 CONECT 91 90 CONECT 92 90 93 230 CONECT 93 92 94 95 96 CONECT 94 93 231 232 233 CONECT 95 93 234 235 236 CONECT 96 93 97 98 CONECT 97 96 CONECT 98 96 99 237 CONECT 99 98 100 238 239 CONECT 100 99 101 240 241 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 242 CONECT 104 103 105 106 107 CONECT 105 104 243 244 245 CONECT 106 104 246 247 248 CONECT 107 104 108 109 CONECT 108 107 CONECT 109 107 110 249 CONECT 110 109 111 112 113 CONECT 111 110 250 251 252 CONECT 112 110 253 254 255 CONECT 113 110 114 115 CONECT 114 113 CONECT 115 113 116 256 CONECT 116 115 117 118 119 CONECT 117 116 257 258 259 CONECT 118 116 260 261 262 CONECT 119 116 120 121 CONECT 120 119 CONECT 121 119 263 CONECT 122 1 CONECT 123 1 CONECT 124 1 CONECT 125 2 CONECT 126 2 CONECT 127 3 CONECT 128 3 CONECT 129 4 CONECT 130 4 CONECT 131 5 CONECT 132 5 CONECT 133 6 CONECT 134 6 CONECT 135 7 CONECT 136 7 CONECT 137 8 CONECT 138 8 CONECT 139 9 CONECT 140 9 CONECT 141 10 CONECT 142 10 CONECT 143 11 CONECT 144 11 CONECT 145 14 CONECT 146 16 CONECT 147 16 CONECT 148 16 CONECT 149 17 CONECT 150 17 CONECT 151 17 CONECT 152 21 CONECT 153 21 CONECT 154 22 CONECT 155 22 CONECT 156 23 CONECT 157 23 CONECT 158 24 CONECT 159 27 CONECT 160 29 CONECT 161 29 CONECT 162 29 CONECT 163 30 CONECT 164 30 CONECT 165 30 CONECT 166 33 CONECT 167 35 CONECT 168 35 CONECT 169 35 CONECT 170 36 CONECT 171 36 CONECT 172 36 CONECT 173 40 CONECT 174 40 CONECT 175 41 CONECT 176 41 CONECT 177 42 CONECT 178 42 CONECT 179 43 CONECT 180 46 CONECT 181 48 CONECT 182 48 CONECT 183 48 CONECT 184 49 CONECT 185 49 CONECT 186 49 CONECT 187 52 CONECT 188 54 CONECT 189 54 CONECT 190 54 CONECT 191 55 CONECT 192 55 CONECT 193 55 CONECT 194 59 CONECT 195 59 CONECT 196 60 CONECT 197 60 CONECT 198 61 CONECT 199 61 CONECT 200 62 CONECT 201 65 CONECT 202 66 CONECT 203 67 CONECT 204 67 CONECT 205 67 CONECT 206 70 CONECT 207 72 CONECT 208 72 CONECT 209 72 CONECT 210 73 CONECT 211 73 CONECT 212 73 CONECT 213 76 CONECT 214 77 CONECT 215 77 CONECT 216 78 CONECT 217 78 CONECT 218 81 CONECT 219 82 CONECT 220 83 CONECT 221 83 CONECT 222 83 CONECT 223 86 CONECT 224 88 CONECT 225 88 CONECT 226 88 CONECT 227 89 CONECT 228 89 CONECT 229 89 CONECT 230 92 CONECT 231 94 CONECT 232 94 CONECT 233 94 CONECT 234 95 CONECT 235 95 CONECT 236 95 CONECT 237 98 CONECT 238 99 CONECT 239 99 CONECT 240 100 CONECT 241 100 CONECT 242 103 CONECT 243 105 CONECT 244 105 CONECT 245 105 CONECT 246 106 CONECT 247 106 CONECT 248 106 CONECT 249 109 CONECT 250 111 CONECT 251 111 CONECT 252 111 CONECT 253 112 CONECT 254 112 CONECT 255 112 CONECT 256 115 CONECT 257 117 CONECT 258 117 CONECT 259 117 CONECT 260 118 CONECT 261 118 CONECT 262 118 CONECT 263 121 MASTER 0 0 0 0 0 0 0 0 263 0 530 0 END SMILES for NP0020564 (Myropeptin B)[H]OC(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])C([H])([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@@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]3([H])N(C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])(C([H])([H])[H])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])C([H])([H])C1([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])[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])[H])C([H])([H])[H] INCHI for NP0020564 (Myropeptin B)InChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/m0/s1 3D Structure for NP0020564 (Myropeptin B) | ||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C83H142N18O20 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1712.1550 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1711.06478 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | JOSZEHOSQKJAHT-QDDNDEIWSA-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 | NPA026829 | ||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146683248 | ||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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