| Properties | Image |
|---|
| MNX_ID | MNXM233092 |
 |
| reference | slm:000472602 |
| formula | C52H91O13P2 |
| global charge | -3 |
| mol weight | 986.235 |
| InChIKey | NQMBSSHHALPNJI-HGWHPVAPSA-K |
| InChI | InChI=1S/C52H94O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,23-24,49-50,53H,3-10,12,15,19,22,25-48H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b13-11-,16-14-,18-17-,21-20-,24-23-/t49-,50+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H94O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-51(54)61-47-50(48-64-67(59,60)63-46-49(53)45-62-66(56,57)58)65-52(55)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,23-24,49-50,53H,3-10,12,15,19,22,25-48H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,16-14-,18-17-,21-20-,24-23-/t49-,50+/m0/s1 |
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| 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][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:51](=[O:54])[O:61][CH2:47][C@H:50]([CH2:48][O:64][P:67]([OH:59])(=[O:60])[O:63][CH2:46][C@H:49]([CH2:45][O:62][P:66]([OH:56])([OH:57])=[O:58])[OH:53])[O:65][C:52]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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