| Properties | Image |
|---|
| MNX_ID | MNXM959941 |
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| reference | slm:000652326 |
| formula | C48H83NO9P |
| global charge | -1 |
| mol weight | 849.164 |
| InChIKey | VOFLBOXDQCOJGA-BTJJTKRCSA-M |
| InChI | InChI=1S/C48H84NO9P/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-48(52)55-43-45(58-47(51)6-3)44-57-59(53,54)56-42-41-49-46(50)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-5-2/h13,15-16,18-19,21,23-24,28,30,45H,4-12,14,17,20,22,25-27,29,31-44H2,1-3H3,(H,49,50)(H,53,54)/p-1/b15-13-,18-16-,21-19-,24-23-,30-28-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C48H84NO9P/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-48(52)55-43-45(58-47(51)6-3)44-57-59(53,54)56-42-41-49-46(50)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-5-2/h13,15-16,18-19,21,23-24,28,30,45H,4-12,14,17,20,22,25-27,29,31-44H2,1-3H3,(H,49,50)(H,53,54)/b15-13-,18-16-,21-19-,24-23-,30-28-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:48](=[O:52])[O:55][CH2:43][C@H:45]([CH2:44][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:42][CH2:41][N:49]=[C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:50])[O:58][C:47]([CH2:6][CH3:3])=[O:51] |
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