| Properties | Image |
|---|
| MNX_ID | MNXM218011 |
 |
| reference | slm:000472146 |
| formula | C49H87O13P2 |
| global charge | -3 |
| mol weight | 946.17 |
| InChIKey | FZDZAYIQDCIGNN-PDEMBPKWSA-K |
| InChI | InChI=1S/C49H90O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-48(51)58-44-47(45-61-64(56,57)60-43-46(50)42-59-63(53,54)55)62-49(52)41-39-37-35-33-30-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-24,46-47,50H,3-10,12,14-16,19,22,25-45H2,1-2H3,(H,56,57)(H2,53,54,55)/p-3/b13-11-,18-17-,21-20-,24-23-/t46-,47+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-48(51)58-44-47(45-61-64(56,57)60-43-46(50)42-59-63(53,54)55)62-49(52)41-39-37-35-33-30-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23-24,46-47,50H,3-10,12,14-16,19,22,25-45H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,18-17-,21-20-,24-23-/t46-,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:48](=[O:51])[O:58][CH2:44][C@H:47]([CH2:45][O:61][P:64]([OH:56])(=[O:57])[O:60][CH2:43][C@H:46]([CH2:42][O:59][P:63]([OH:53])([OH:54])=[O:55])[OH:50])[O:62][C:49]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
|