Showing NP-Card for Surugamide F2 (NP0016680)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:35:34 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:23:22 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016680 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Surugamide F2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Surugamide F2 is found in Streptomyces sp. JAMM992. Based on a literature review very few articles have been published on Surugamide F2. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0016680 (Surugamide F2)
Mrv1652307042107223D
157158 0 0 0 0 999 V2000
-4.9637 -1.5287 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0649 -2.5851 1.6504 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2752 -3.4415 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 -2.0572 0.3002 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5490 -1.0342 -0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1901 -1.4323 -0.5018 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -0.8752 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2388 0.0223 1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 -1.3502 -0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1132 -0.7577 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 -1.2605 1.2024 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4784 -1.6815 1.0857 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 -1.1371 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 -0.0609 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9025 -1.7708 0.4337 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8277 -0.9346 -0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9138 -1.3461 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1751 -2.5484 -1.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7656 -0.3031 -1.7163 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1659 -0.6760 -1.6621 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0411 0.1597 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4937 1.1693 -0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4684 -0.1042 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0457 0.9946 0.0287 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7982 0.7157 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9210 -0.4759 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3724 1.8148 2.0090 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5017 2.9527 1.9342 N 0 0 1 0 0 0 0 0 0 0 0 0
12.8624 1.4650 3.3734 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9620 0.4684 3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9524 -0.8813 3.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1858 -1.3643 3.2199 N 0 0 0 0 0 0 0 0 0 0 0 0
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17.8749 0.8484 2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1505 2.0314 2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8198 2.0085 2.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2266 -0.3327 -2.0040 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6795 -0.6060 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2312 0.9359 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3165 0.0358 -3.1085 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3423 -1.1004 -4.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0731 1.2121 -3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3290 -1.8320 1.9082 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6682 -2.5338 1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3484 -0.6021 2.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1841 -0.2727 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5466 0.6636 -1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4801 -0.5984 -1.8353 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2745 0.0699 -2.8623 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6904 0.0439 -2.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0413 -0.7272 -1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7546 0.7659 -3.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.0834 0.5519 -2.5157 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.0693 0.3491 -3.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5155 1.6399 -1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8373 2.6901 -1.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6555 1.3602 -0.8114 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.2066 2.3075 0.1649 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.6836 1.8936 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5408 1.3378 1.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3242 2.0502 2.7038 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7002 1.6073 3.9551 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3433 0.3503 4.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.7865 2.6703 4.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3557 3.7581 4.7664 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2115 2.4839 6.2582 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.6762 2.3024 -0.0202 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.1973 0.8904 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4657 3.3144 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.7635 -0.1054 -5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1291 -2.0868 3.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2510 -3.5234 3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.4526 -1.5322 0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4641 -0.2188 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9293 -2.1780 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3935 -1.7580 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 -0.1519 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7132 -2.6186 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 -2.7964 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6495 0.1008 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6537 0.6307 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.5794 -1.0591 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9246 1.9574 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2874 2.1405 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7806 3.0250 2.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9915 3.7996 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2668 2.3194 3.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0728 0.9262 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0830 -1.4330 3.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4161 -2.3751 3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8379 -1.2854 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9086 0.8884 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6285 2.9639 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2177 2.9119 2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7714 -1.1106 -2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
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13.1023 0.3685 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6872 -1.3823 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1275 1.5524 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.3329 1.5502 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2412 0.3764 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3030 -1.3799 -4.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8380 -2.0100 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8323 -0.7745 -5.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6558 2.1514 -3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1539 1.1117 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8552 1.2339 -4.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -2.4659 2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0193 -2.6645 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6728 -3.5171 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4140 -1.8297 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2567 -0.7248 3.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9556 -1.4438 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9063 1.0579 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6103 1.4321 -3.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0408 -0.4198 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6008 0.0742 -4.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6983 1.2511 -3.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7990 -0.4744 -3.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1280 0.4212 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8002 3.3259 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2567 2.4776 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6525 1.3855 3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0885 0.6791 5.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9200 -0.2024 3.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5942 -0.2648 5.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5541 1.7434 6.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8520 2.4771 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4033 0.3014 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4420 0.3659 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1057 0.9573 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8125 4.1022 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1489 2.8575 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1855 3.8090 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3650 -1.7908 -3.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9953 -1.3172 -3.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.4416 0.9547 -5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3706 -0.5113 -6.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
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57 58 2 0 0 0 0
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59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
60 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
51 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
38 30 1 0 0 0 0
38 33 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
1 77 1 0 0 0 0
2 78 1 6 0 0 0
3 79 1 0 0 0 0
3 80 1 0 0 0 0
3 81 1 0 0 0 0
4 82 1 0 0 0 0
4 83 1 0 0 0 0
5 84 1 1 0 0 0
6 85 1 0 0 0 0
9 86 1 6 0 0 0
10 87 1 0 0 0 0
10 88 1 0 0 0 0
10 89 1 0 0 0 0
11 90 1 0 0 0 0
11 91 1 0 0 0 0
12 92 1 0 0 0 0
15 93 1 6 0 0 0
16 94 1 0 0 0 0
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20 96 1 0 0 0 0
23 97 1 1 0 0 0
24 98 1 0 0 0 0
27 99 1 6 0 0 0
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M END
3D MOL for NP0016680 (Surugamide F2)
RDKit 3D
157158 0 0 0 0 0 0 0 0999 V2000
-4.9637 -1.5287 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0649 -2.5851 1.6504 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2752 -3.4415 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 -2.0572 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5490 -1.0342 -0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1901 -1.4323 -0.5018 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -0.8752 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2388 0.0223 1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 -1.3502 -0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1132 -0.7577 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 -1.2605 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -1.6815 1.0857 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 -1.1371 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 -0.0609 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9025 -1.7708 0.4337 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8277 -0.9346 -0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9138 -1.3461 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1751 -2.5484 -1.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7656 -0.3031 -1.7163 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1659 -0.6760 -1.6621 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0411 0.1597 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4937 1.1693 -0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4684 -0.1042 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0457 0.9946 0.0287 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7982 0.7157 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9210 -0.4759 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3724 1.8148 2.0090 C 0 0 1 0 0 0 0 0 0 0 0 0
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12.8624 1.4650 3.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9620 0.4684 3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
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15.1858 -1.3643 3.2199 N 0 0 0 0 0 0 0 0 0 0 0 0
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17.3114 -0.3514 2.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8749 0.8484 2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1505 2.0314 2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8198 2.0085 2.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2380 0.8248 2.8333 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2266 -0.3327 -2.0040 C 0 0 2 0 0 0 0 0 0 0 0 0
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11.2312 0.9359 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3165 0.0358 -3.1085 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3423 -1.1004 -4.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0731 1.2121 -3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3290 -1.8320 1.9082 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6682 -2.5338 1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0
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-11.0834 0.5519 -2.5157 C 0 0 2 0 0 0 0 0 0 0 0 0
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74157 1 0
M END
3D SDF for NP0016680 (Surugamide F2)
Mrv1652307042107223D
157158 0 0 0 0 999 V2000
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-5.3944 -1.2407 -5.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8376 -0.2766 -5.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4416 0.9547 -5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3706 -0.5113 -6.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
23 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
19 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
15 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
5 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
60 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
51 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
38 30 1 0 0 0 0
38 33 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
1 77 1 0 0 0 0
2 78 1 6 0 0 0
3 79 1 0 0 0 0
3 80 1 0 0 0 0
3 81 1 0 0 0 0
4 82 1 0 0 0 0
4 83 1 0 0 0 0
5 84 1 1 0 0 0
6 85 1 0 0 0 0
9 86 1 6 0 0 0
10 87 1 0 0 0 0
10 88 1 0 0 0 0
10 89 1 0 0 0 0
11 90 1 0 0 0 0
11 91 1 0 0 0 0
12 92 1 0 0 0 0
15 93 1 6 0 0 0
16 94 1 0 0 0 0
19 95 1 1 0 0 0
20 96 1 0 0 0 0
23 97 1 1 0 0 0
24 98 1 0 0 0 0
27 99 1 6 0 0 0
28100 1 0 0 0 0
28101 1 0 0 0 0
29102 1 0 0 0 0
29103 1 0 0 0 0
31104 1 0 0 0 0
32105 1 0 0 0 0
34106 1 0 0 0 0
35107 1 0 0 0 0
36108 1 0 0 0 0
37109 1 0 0 0 0
39110 1 6 0 0 0
40111 1 0 0 0 0
40112 1 0 0 0 0
40113 1 0 0 0 0
41114 1 0 0 0 0
41115 1 0 0 0 0
41116 1 0 0 0 0
42117 1 1 0 0 0
43118 1 0 0 0 0
43119 1 0 0 0 0
43120 1 0 0 0 0
44121 1 0 0 0 0
44122 1 0 0 0 0
44123 1 0 0 0 0
45124 1 1 0 0 0
46125 1 0 0 0 0
46126 1 0 0 0 0
46127 1 0 0 0 0
47128 1 0 0 0 0
50129 1 0 0 0 0
51130 1 6 0 0 0
54131 1 0 0 0 0
55132 1 1 0 0 0
56133 1 0 0 0 0
56134 1 0 0 0 0
56135 1 0 0 0 0
59136 1 0 0 0 0
60137 1 6 0 0 0
63138 1 0 0 0 0
64139 1 6 0 0 0
65140 1 0 0 0 0
65141 1 0 0 0 0
65142 1 0 0 0 0
68143 1 0 0 0 0
69144 1 6 0 0 0
70145 1 0 0 0 0
70146 1 0 0 0 0
70147 1 0 0 0 0
71148 1 0 0 0 0
71149 1 0 0 0 0
71150 1 0 0 0 0
72151 1 1 0 0 0
73152 1 0 0 0 0
73153 1 0 0 0 0
73154 1 0 0 0 0
74155 1 0 0 0 0
74156 1 0 0 0 0
74157 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016680
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C51H83N11O12/c1-23(2)19-36(45(67)60-38(25(5)6)47(69)55-29(12)43(65)58-37(24(3)4)48(70)56-30(13)51(73)74)57-42(64)28(11)21-54-46(68)41(31(14)63)62-50(72)40(27(9)10)61-49(71)39(26(7)8)59-44(66)34(52)20-32-22-53-35-18-16-15-17-33(32)35/h15-18,22-31,34,36-41,53,63H,19-21,52H2,1-14H3,(H,54,68)(H,55,69)(H,56,70)(H,57,64)(H,58,65)(H,59,66)(H,60,67)(H,61,71)(H,62,72)(H,73,74)/t28-,29+,30+,31+,34-,36+,37-,38-,39+,40-,41-/m0/s1
> <INCHI_KEY>
AMSWESMPYWFNGF-GKMJPQRFSA-N
> <FORMULA>
C51H83N11O12
> <MOLECULAR_WEIGHT>
1042.29
> <EXACT_MASS>
1041.622267157
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
157
> <JCHEM_AVERAGE_POLARIZABILITY>
114.95529683597476
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
13
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-3-[(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-2-methylpropanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-methylbutanamido]propanoic acid
> <ALOGPS_LOGP>
0.45
> <JCHEM_LOGP>
-1.5320623354831506
> <ALOGPS_LOGS>
-4.96
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.655081178143135
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6936017820004166
> <JCHEM_PKA_STRONGEST_BASIC>
7.6582897795541465
> <JCHEM_POLAR_SURFACE_AREA>
361.2399999999999
> <JCHEM_REFRACTIVITY>
272.2779000000002
> <JCHEM_ROTATABLE_BOND_COUNT>
29
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.16e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-3-[(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-2-methylpropanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-methylbutanamido]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0016680 (Surugamide F2)
RDKit 3D
157158 0 0 0 0 0 0 0 0999 V2000
-4.9637 -1.5287 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0649 -2.5851 1.6504 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2752 -3.4415 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 -2.0572 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5490 -1.0342 -0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1901 -1.4323 -0.5018 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -0.8752 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2388 0.0223 1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 -1.3502 -0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1132 -0.7577 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 -1.2605 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -1.6815 1.0857 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 -1.1371 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 -0.0609 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9025 -1.7708 0.4337 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8277 -0.9346 -0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9138 -1.3461 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1751 -2.5484 -1.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7656 -0.3031 -1.7163 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1659 -0.6760 -1.6621 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0411 0.1597 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4937 1.1693 -0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4684 -0.1042 -0.7273 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0457 0.9946 0.0287 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7982 0.7157 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9210 -0.4759 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3724 1.8148 2.0090 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5017 2.9527 1.9342 N 0 0 0 0 0 0 0 0 0 0 0 0
12.8624 1.4650 3.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9620 0.4684 3.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9524 -0.8813 3.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1858 -1.3643 3.2199 N 0 0 0 0 0 0 0 0 0 0 0 0
15.9699 -0.3434 2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3114 -0.3514 2.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8749 0.8484 2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1505 2.0314 2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8198 2.0085 2.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2380 0.8248 2.8333 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2266 -0.3327 -2.0040 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6795 -0.6060 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2312 0.9359 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3165 0.0358 -3.1085 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3423 -1.1004 -4.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0731 1.2121 -3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3290 -1.8320 1.9082 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6682 -2.5338 1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3484 -0.6021 2.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1841 -0.2727 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5466 0.6636 -1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4801 -0.5984 -1.8353 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2745 0.0699 -2.8623 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6904 0.0439 -2.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0413 -0.7272 -1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7546 0.7659 -3.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.0834 0.5519 -2.5157 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.0693 0.3491 -3.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5155 1.6399 -1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8373 2.6901 -1.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.6555 1.3602 -0.8114 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.2066 2.3075 0.1649 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.6836 1.8936 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5408 1.3378 1.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3242 2.0502 2.7038 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7002 1.6073 3.9551 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3433 0.3503 4.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.7865 2.6703 4.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3557 3.7581 4.7664 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2115 2.4839 6.2582 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.6762 2.3024 -0.0202 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.1973 0.8904 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.4657 3.3144 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0485 -0.7335 -4.1361 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.5728 -0.7112 -4.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7635 -0.1054 -5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1291 -2.0868 3.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9460 -1.1152 2.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7687 -0.7913 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1829 -3.2098 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2585 -4.4157 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1941 -2.8913 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2510 -3.5234 3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6896 -2.9205 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4526 -1.5322 0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4641 -0.2188 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9293 -2.1780 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -2.4931 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9433 -0.8285 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1007 0.3291 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 -1.3824 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.7580 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 -0.1519 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7132 -2.6186 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 -2.7964 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6495 0.1008 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6537 0.6307 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4802 -1.5125 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5794 -1.0591 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9246 1.9574 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2874 2.1405 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7806 3.0250 2.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9915 3.7996 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2668 2.3194 3.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0728 0.9262 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0830 -1.4330 3.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4161 -2.3751 3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8379 -1.2854 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9086 0.8884 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6285 2.9639 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2177 2.9119 2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7714 -1.1106 -2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1975 -0.9720 -2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1023 0.3685 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6872 -1.3823 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1275 1.5524 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2477 0.7310 -3.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3329 1.5502 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2412 0.3764 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3030 -1.3799 -4.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8380 -2.0100 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8323 -0.7745 -5.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6558 2.1514 -3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1539 1.1117 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8552 1.2339 -4.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -2.4659 2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0193 -2.6645 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6728 -3.5171 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4140 -1.8297 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2567 -0.7248 3.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9556 -1.4438 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9063 1.0579 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6103 1.4321 -3.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0408 -0.4198 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
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-12.6983 1.2511 -3.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.6525 1.3855 3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
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-13.9200 -0.2024 3.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5942 -0.2648 5.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.3706 -0.5113 -6.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
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38 30 1 0
38 33 1 0
1 75 1 0
1 76 1 0
1 77 1 0
2 78 1 6
3 79 1 0
3 80 1 0
3 81 1 0
4 82 1 0
4 83 1 0
5 84 1 1
6 85 1 0
9 86 1 6
10 87 1 0
10 88 1 0
10 89 1 0
11 90 1 0
11 91 1 0
12 92 1 0
15 93 1 6
16 94 1 0
19 95 1 1
20 96 1 0
23 97 1 1
24 98 1 0
27 99 1 6
28100 1 0
28101 1 0
29102 1 0
29103 1 0
31104 1 0
32105 1 0
34106 1 0
35107 1 0
36108 1 0
37109 1 0
39110 1 6
40111 1 0
40112 1 0
40113 1 0
41114 1 0
41115 1 0
41116 1 0
42117 1 1
43118 1 0
43119 1 0
43120 1 0
44121 1 0
44122 1 0
44123 1 0
45124 1 1
46125 1 0
46126 1 0
46127 1 0
47128 1 0
50129 1 0
51130 1 6
54131 1 0
55132 1 1
56133 1 0
56134 1 0
56135 1 0
59136 1 0
60137 1 6
63138 1 0
64139 1 6
65140 1 0
65141 1 0
65142 1 0
68143 1 0
69144 1 6
70145 1 0
70146 1 0
70147 1 0
71148 1 0
71149 1 0
71150 1 0
72151 1 1
73152 1 0
73153 1 0
73154 1 0
74155 1 0
74156 1 0
74157 1 0
M END
PDB for NP0016680 (Surugamide F2)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 -4.964 -1.529 2.734 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.065 -2.585 1.650 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.275 -3.442 2.102 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.458 -2.057 0.300 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.549 -1.034 -0.283 0.00 0.00 C+0 HETATM 6 N UNK 0 -3.190 -1.432 -0.502 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.089 -0.875 0.219 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.239 0.022 1.083 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.685 -1.350 -0.031 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.113 -0.758 -1.247 0.00 0.00 C+0 HETATM 11 C UNK 0 0.130 -1.260 1.202 0.00 0.00 C+0 HETATM 12 N UNK 0 1.478 -1.682 1.086 0.00 0.00 N+0 HETATM 13 C UNK 0 2.553 -1.137 0.424 0.00 0.00 C+0 HETATM 14 O UNK 0 2.471 -0.061 -0.230 0.00 0.00 O+0 HETATM 15 C UNK 0 3.902 -1.771 0.434 0.00 0.00 C+0 HETATM 16 N UNK 0 4.828 -0.935 -0.289 0.00 0.00 N+0 HETATM 17 C UNK 0 5.914 -1.346 -1.073 0.00 0.00 C+0 HETATM 18 O UNK 0 6.175 -2.548 -1.228 0.00 0.00 O+0 HETATM 19 C UNK 0 6.766 -0.303 -1.716 0.00 0.00 C+0 HETATM 20 N UNK 0 8.166 -0.676 -1.662 0.00 0.00 N+0 HETATM 21 C UNK 0 9.041 0.160 -0.885 0.00 0.00 C+0 HETATM 22 O UNK 0 8.494 1.169 -0.322 0.00 0.00 O+0 HETATM 23 C UNK 0 10.468 -0.104 -0.727 0.00 0.00 C+0 HETATM 24 N UNK 0 11.046 0.995 0.029 0.00 0.00 N+0 HETATM 25 C UNK 0 11.798 0.716 1.240 0.00 0.00 C+0 HETATM 26 O UNK 0 11.921 -0.476 1.565 0.00 0.00 O+0 HETATM 27 C UNK 0 12.372 1.815 2.009 0.00 0.00 C+0 HETATM 28 N UNK 0 11.502 2.953 1.934 0.00 0.00 N+0 HETATM 29 C UNK 0 12.862 1.465 3.373 0.00 0.00 C+0 HETATM 30 C UNK 0 13.962 0.468 3.246 0.00 0.00 C+0 HETATM 31 C UNK 0 13.952 -0.881 3.478 0.00 0.00 C+0 HETATM 32 N UNK 0 15.186 -1.364 3.220 0.00 0.00 N+0 HETATM 33 C UNK 0 15.970 -0.343 2.829 0.00 0.00 C+0 HETATM 34 C UNK 0 17.311 -0.351 2.458 0.00 0.00 C+0 HETATM 35 C UNK 0 17.875 0.848 2.100 0.00 0.00 C+0 HETATM 36 C UNK 0 17.151 2.031 2.101 0.00 0.00 C+0 HETATM 37 C UNK 0 15.820 2.009 2.474 0.00 0.00 C+0 HETATM 38 C UNK 0 15.238 0.825 2.833 0.00 0.00 C+0 HETATM 39 C UNK 0 11.227 -0.333 -2.004 0.00 0.00 C+0 HETATM 40 C UNK 0 12.680 -0.606 -1.649 0.00 0.00 C+0 HETATM 41 C UNK 0 11.231 0.936 -2.848 0.00 0.00 C+0 HETATM 42 C UNK 0 6.316 0.036 -3.108 0.00 0.00 C+0 HETATM 43 C UNK 0 6.342 -1.100 -4.075 0.00 0.00 C+0 HETATM 44 C UNK 0 7.073 1.212 -3.681 0.00 0.00 C+0 HETATM 45 C UNK 0 4.329 -1.832 1.908 0.00 0.00 C+0 HETATM 46 C UNK 0 5.668 -2.534 1.994 0.00 0.00 C+0 HETATM 47 O UNK 0 4.348 -0.602 2.514 0.00 0.00 O+0 HETATM 48 C UNK 0 -5.184 -0.273 -1.400 0.00 0.00 C+0 HETATM 49 O UNK 0 -4.547 0.664 -1.943 0.00 0.00 O+0 HETATM 50 N UNK 0 -6.480 -0.598 -1.835 0.00 0.00 N+0 HETATM 51 C UNK 0 -7.274 0.070 -2.862 0.00 0.00 C+0 HETATM 52 C UNK 0 -8.690 0.044 -2.472 0.00 0.00 C+0 HETATM 53 O UNK 0 -9.041 -0.727 -1.482 0.00 0.00 O+0 HETATM 54 N UNK 0 -9.755 0.766 -3.045 0.00 0.00 N+0 HETATM 55 C UNK 0 -11.083 0.552 -2.516 0.00 0.00 C+0 HETATM 56 C UNK 0 -12.069 0.349 -3.622 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.515 1.640 -1.585 0.00 0.00 C+0 HETATM 58 O UNK 0 -10.837 2.690 -1.563 0.00 0.00 O+0 HETATM 59 N UNK 0 -12.656 1.360 -0.811 0.00 0.00 N+0 HETATM 60 C UNK 0 -13.207 2.308 0.165 0.00 0.00 C+0 HETATM 61 C UNK 0 -12.684 1.894 1.464 0.00 0.00 C+0 HETATM 62 O UNK 0 -11.541 1.338 1.498 0.00 0.00 O+0 HETATM 63 N UNK 0 -13.324 2.050 2.704 0.00 0.00 N+0 HETATM 64 C UNK 0 -12.700 1.607 3.955 0.00 0.00 C+0 HETATM 65 C UNK 0 -13.343 0.350 4.503 0.00 0.00 C+0 HETATM 66 C UNK 0 -12.787 2.670 4.980 0.00 0.00 C+0 HETATM 67 O UNK 0 -13.356 3.758 4.766 0.00 0.00 O+0 HETATM 68 O UNK 0 -12.211 2.484 6.258 0.00 0.00 O+0 HETATM 69 C UNK 0 -14.676 2.302 -0.020 0.00 0.00 C+0 HETATM 70 C UNK 0 -15.197 0.890 0.219 0.00 0.00 C+0 HETATM 71 C UNK 0 -15.466 3.314 0.731 0.00 0.00 C+0 HETATM 72 C UNK 0 -7.048 -0.734 -4.136 0.00 0.00 C+0 HETATM 73 C UNK 0 -5.573 -0.711 -4.465 0.00 0.00 C+0 HETATM 74 C UNK 0 -7.763 -0.105 -5.296 0.00 0.00 C+0 HETATM 75 H UNK 0 -5.129 -2.087 3.712 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.946 -1.115 2.852 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.769 -0.791 2.693 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.183 -3.210 1.640 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.258 -4.416 1.637 0.00 0.00 H+0 HETATM 80 H UNK 0 -7.194 -2.891 1.849 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.251 -3.523 3.227 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.690 -2.921 -0.346 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.453 -1.532 0.487 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.464 -0.219 0.528 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.929 -2.178 -1.220 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.832 -2.493 -0.186 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.943 -0.829 -2.047 0.00 0.00 H+0 HETATM 88 H UNK 0 0.101 0.329 -1.228 0.00 0.00 H+0 HETATM 89 H UNK 0 0.710 -1.382 -1.667 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.394 -1.758 2.072 0.00 0.00 H+0 HETATM 91 H UNK 0 0.115 -0.152 1.551 0.00 0.00 H+0 HETATM 92 H UNK 0 1.713 -2.619 1.615 0.00 0.00 H+0 HETATM 93 H UNK 0 3.940 -2.796 0.089 0.00 0.00 H+0 HETATM 94 H UNK 0 4.649 0.101 -0.205 0.00 0.00 H+0 HETATM 95 H UNK 0 6.654 0.631 -1.116 0.00 0.00 H+0 HETATM 96 H UNK 0 8.480 -1.513 -2.176 0.00 0.00 H+0 HETATM 97 H UNK 0 10.579 -1.059 -0.141 0.00 0.00 H+0 HETATM 98 H UNK 0 10.925 1.957 -0.288 0.00 0.00 H+0 HETATM 99 H UNK 0 13.287 2.140 1.362 0.00 0.00 H+0 HETATM 100 H UNK 0 10.781 3.025 2.656 0.00 0.00 H+0 HETATM 101 H UNK 0 11.992 3.800 1.658 0.00 0.00 H+0 HETATM 102 H UNK 0 13.267 2.319 3.927 0.00 0.00 H+0 HETATM 103 H UNK 0 12.073 0.926 3.982 0.00 0.00 H+0 HETATM 104 H UNK 0 13.083 -1.433 3.821 0.00 0.00 H+0 HETATM 105 H UNK 0 15.416 -2.375 3.331 0.00 0.00 H+0 HETATM 106 H UNK 0 17.838 -1.285 2.468 0.00 0.00 H+0 HETATM 107 H UNK 0 18.909 0.888 1.810 0.00 0.00 H+0 HETATM 108 H UNK 0 17.628 2.964 1.813 0.00 0.00 H+0 HETATM 109 H UNK 0 15.218 2.912 2.494 0.00 0.00 H+0 HETATM 110 H UNK 0 10.771 -1.111 -2.616 0.00 0.00 H+0 HETATM 111 H UNK 0 13.197 -0.972 -2.577 0.00 0.00 H+0 HETATM 112 H UNK 0 13.102 0.369 -1.327 0.00 0.00 H+0 HETATM 113 H UNK 0 12.687 -1.382 -0.863 0.00 0.00 H+0 HETATM 114 H UNK 0 12.127 1.552 -2.595 0.00 0.00 H+0 HETATM 115 H UNK 0 11.248 0.731 -3.917 0.00 0.00 H+0 HETATM 116 H UNK 0 10.333 1.550 -2.611 0.00 0.00 H+0 HETATM 117 H UNK 0 5.241 0.376 -2.997 0.00 0.00 H+0 HETATM 118 H UNK 0 5.303 -1.380 -4.340 0.00 0.00 H+0 HETATM 119 H UNK 0 6.838 -2.010 -3.667 0.00 0.00 H+0 HETATM 120 H UNK 0 6.832 -0.775 -5.026 0.00 0.00 H+0 HETATM 121 H UNK 0 6.656 2.151 -3.234 0.00 0.00 H+0 HETATM 122 H UNK 0 8.154 1.112 -3.512 0.00 0.00 H+0 HETATM 123 H UNK 0 6.855 1.234 -4.773 0.00 0.00 H+0 HETATM 124 H UNK 0 3.585 -2.466 2.413 0.00 0.00 H+0 HETATM 125 H UNK 0 6.019 -2.664 3.037 0.00 0.00 H+0 HETATM 126 H UNK 0 5.673 -3.517 1.505 0.00 0.00 H+0 HETATM 127 H UNK 0 6.414 -1.830 1.524 0.00 0.00 H+0 HETATM 128 H UNK 0 4.257 -0.725 3.499 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.956 -1.444 -1.371 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.906 1.058 -3.034 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.610 1.432 -3.803 0.00 0.00 H+0 HETATM 132 H UNK 0 -11.041 -0.420 -1.927 0.00 0.00 H+0 HETATM 133 H UNK 0 -11.601 0.074 -4.603 0.00 0.00 H+0 HETATM 134 H UNK 0 -12.698 1.251 -3.802 0.00 0.00 H+0 HETATM 135 H UNK 0 -12.799 -0.474 -3.402 0.00 0.00 H+0 HETATM 136 H UNK 0 -13.128 0.421 -0.945 0.00 0.00 H+0 HETATM 137 H UNK 0 -12.800 3.326 -0.024 0.00 0.00 H+0 HETATM 138 H UNK 0 -14.257 2.478 2.762 0.00 0.00 H+0 HETATM 139 H UNK 0 -11.652 1.385 3.745 0.00 0.00 H+0 HETATM 140 H UNK 0 -14.088 0.679 5.286 0.00 0.00 H+0 HETATM 141 H UNK 0 -13.920 -0.202 3.751 0.00 0.00 H+0 HETATM 142 H UNK 0 -12.594 -0.265 5.027 0.00 0.00 H+0 HETATM 143 H UNK 0 -12.554 1.743 6.857 0.00 0.00 H+0 HETATM 144 H UNK 0 -14.852 2.477 -1.130 0.00 0.00 H+0 HETATM 145 H UNK 0 -14.403 0.301 0.736 0.00 0.00 H+0 HETATM 146 H UNK 0 -15.442 0.366 -0.716 0.00 0.00 H+0 HETATM 147 H UNK 0 -16.106 0.957 0.824 0.00 0.00 H+0 HETATM 148 H UNK 0 -14.813 4.102 1.120 0.00 0.00 H+0 HETATM 149 H UNK 0 -16.149 2.857 1.481 0.00 0.00 H+0 HETATM 150 H UNK 0 -16.186 3.809 0.007 0.00 0.00 H+0 HETATM 151 H UNK 0 -7.365 -1.791 -3.961 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.189 0.305 -4.615 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.995 -1.317 -3.740 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.394 -1.241 -5.455 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.838 -0.277 -5.207 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.442 0.955 -5.322 0.00 0.00 H+0 HETATM 157 H UNK 0 -7.371 -0.511 -6.285 0.00 0.00 H+0 CONECT 1 2 75 76 77 CONECT 2 1 3 4 78 CONECT 3 2 79 80 81 CONECT 4 2 5 82 83 CONECT 5 4 6 48 84 CONECT 6 5 7 85 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 86 CONECT 10 9 87 88 89 CONECT 11 9 12 90 91 CONECT 12 11 13 92 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 45 93 CONECT 16 15 17 94 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 42 95 CONECT 20 19 21 96 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 39 97 CONECT 24 23 25 98 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 99 CONECT 28 27 100 101 CONECT 29 27 30 102 103 CONECT 30 29 31 38 CONECT 31 30 32 104 CONECT 32 31 33 105 CONECT 33 32 34 38 CONECT 34 33 35 106 CONECT 35 34 36 107 CONECT 36 35 37 108 CONECT 37 36 38 109 CONECT 38 37 30 33 CONECT 39 23 40 41 110 CONECT 40 39 111 112 113 CONECT 41 39 114 115 116 CONECT 42 19 43 44 117 CONECT 43 42 118 119 120 CONECT 44 42 121 122 123 CONECT 45 15 46 47 124 CONECT 46 45 125 126 127 CONECT 47 45 128 CONECT 48 5 49 50 CONECT 49 48 CONECT 50 48 51 129 CONECT 51 50 52 72 130 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 131 CONECT 55 54 56 57 132 CONECT 56 55 133 134 135 CONECT 57 55 58 59 CONECT 58 57 CONECT 59 57 60 136 CONECT 60 59 61 69 137 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 138 CONECT 64 63 65 66 139 CONECT 65 64 140 141 142 CONECT 66 64 67 68 CONECT 67 66 CONECT 68 66 143 CONECT 69 60 70 71 144 CONECT 70 69 145 146 147 CONECT 71 69 148 149 150 CONECT 72 51 73 74 151 CONECT 73 72 152 153 154 CONECT 74 72 155 156 157 CONECT 75 1 CONECT 76 1 CONECT 77 1 CONECT 78 2 CONECT 79 3 CONECT 80 3 CONECT 81 3 CONECT 82 4 CONECT 83 4 CONECT 84 5 CONECT 85 6 CONECT 86 9 CONECT 87 10 CONECT 88 10 CONECT 89 10 CONECT 90 11 CONECT 91 11 CONECT 92 12 CONECT 93 15 CONECT 94 16 CONECT 95 19 CONECT 96 20 CONECT 97 23 CONECT 98 24 CONECT 99 27 CONECT 100 28 CONECT 101 28 CONECT 102 29 CONECT 103 29 CONECT 104 31 CONECT 105 32 CONECT 106 34 CONECT 107 35 CONECT 108 36 CONECT 109 37 CONECT 110 39 CONECT 111 40 CONECT 112 40 CONECT 113 40 CONECT 114 41 CONECT 115 41 CONECT 116 41 CONECT 117 42 CONECT 118 43 CONECT 119 43 CONECT 120 43 CONECT 121 44 CONECT 122 44 CONECT 123 44 CONECT 124 45 CONECT 125 46 CONECT 126 46 CONECT 127 46 CONECT 128 47 CONECT 129 50 CONECT 130 51 CONECT 131 54 CONECT 132 55 CONECT 133 56 CONECT 134 56 CONECT 135 56 CONECT 136 59 CONECT 137 60 CONECT 138 63 CONECT 139 64 CONECT 140 65 CONECT 141 65 CONECT 142 65 CONECT 143 68 CONECT 144 69 CONECT 145 70 CONECT 146 70 CONECT 147 70 CONECT 148 71 CONECT 149 71 CONECT 150 71 CONECT 151 72 CONECT 152 73 CONECT 153 73 CONECT 154 73 CONECT 155 74 CONECT 156 74 CONECT 157 74 MASTER 0 0 0 0 0 0 0 0 157 0 316 0 END SMILES for NP0016680 (Surugamide F2)[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0016680 (Surugamide F2)InChI=1S/C51H83N11O12/c1-23(2)19-36(45(67)60-38(25(5)6)47(69)55-29(12)43(65)58-37(24(3)4)48(70)56-30(13)51(73)74)57-42(64)28(11)21-54-46(68)41(31(14)63)62-50(72)40(27(9)10)61-49(71)39(26(7)8)59-44(66)34(52)20-32-22-53-35-18-16-15-17-33(32)35/h15-18,22-31,34,36-41,53,63H,19-21,52H2,1-14H3,(H,54,68)(H,55,69)(H,56,70)(H,57,64)(H,58,65)(H,59,66)(H,60,67)(H,61,71)(H,62,72)(H,73,74)/t28-,29+,30+,31+,34-,36+,37-,38-,39+,40-,41-/m0/s1 3D Structure for NP0016680 (Surugamide F2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C51H83N11O12 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1042.2900 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1041.62227 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-3-[(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-2-methylpropanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-methylbutanamido]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-3-[(2S,3R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-hydroxybutanamido]-2-methylpropanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-methylbutanamido]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)C[C@@H](NC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C51H83N11O12/c1-23(2)19-36(45(67)60-38(25(5)6)47(69)55-29(12)43(65)58-37(24(3)4)48(70)56-30(13)51(73)74)57-42(64)28(11)21-54-46(68)41(31(14)63)62-50(72)40(27(9)10)61-49(71)39(26(7)8)59-44(66)34(52)20-32-22-53-35-18-16-15-17-33(32)35/h15-18,22-31,34,36-41,53,63H,19-21,52H2,1-14H3,(H,54,68)(H,55,69)(H,56,70)(H,57,64)(H,58,65)(H,59,66)(H,60,67)(H,61,71)(H,62,72)(H,73,74)/t28-,29+,30+,31+,34-,36+,37-,38-,39+,40-,41-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AMSWESMPYWFNGF-GKMJPQRFSA-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 | NPA022836 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78440593 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139590169 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
