| Properties | Image |
|---|
| MNX_ID | MNXM176599 |
 |
| reference | slm:000475606 |
| formula | C34H61O13P2 |
| global charge | -3 |
| mol weight | 739.797 |
| InChIKey | CPFYLVHXHTWQPR-COBUGYMBSA-K |
| InChI | InChI=1S/C34H64O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(36)43-29-32(30-46-49(41,42)45-28-31(35)27-44-48(38,39)40)47-34(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,31-32,35H,3-8,13-30H2,1-2H3,(H,41,42)(H2,38,39,40)/p-3/b11-9-,12-10-/t31-,32+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C34H64O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(36)43-29-32(30-46-49(41,42)45-28-31(35)27-44-48(38,39)40)47-34(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,31-32,35H,3-8,13-30H2,1-2H3,(H,41,42)(H2,38,39,40)/b11-9-,12-10-/t31-,32+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][C:33](=[O:36])[O:43][CH2:29][C@H:32]([CH2:30][O:46][P:49]([OH:41])(=[O:42])[O:45][CH2:28][C@H:31]([CH2:27][O:44][P:48]([OH:38])([OH:39])=[O:40])[OH:35])[O:47][C:34]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:37] |
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