| Properties | Image |
|---|
| MNX_ID | MNXM1032184 |
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| reference | slm:000724573 |
| formula | C59H105NO8P |
| global charge | -1 |
| mol weight | 987.462 |
| InChIKey | QBGOREPCOHNBGD-INEWQXNWSA-M |
| InChI | InChI=1S/C59H106NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-58(61)60-52-54-66-69(63,64)67-56-57(68-59(62)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)55-65-53-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h12,15-16,19,21,24-25,27,30,33,38,41,57H,4-11,13-14,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b15-12-,19-16-,24-21-,27-25-,33-30-,41-38-/t57-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H106NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-58(61)60-52-54-66-69(63,64)67-56-57(68-59(62)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)55-65-53-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h12,15-16,19,21,24-25,27,30,33,38,41,57H,4-11,13-14,17-18,20,22-23,26,28-29,31-32,34-37,39-40,42-56H2,1-3H3,(H,60,61)(H,63,64)/b15-12-,19-16-,24-21-,27-25-,33-30-,41-38-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:33]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][C:58](=[N:60][CH2:52][CH2:54][O:66][P:69]([OH:63])(=[O:64])[O:67][CH2:56][C@@H:57]([CH2:55][O:65][CH2:53][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:68][C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:62])[OH:61] |
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