| Properties | Image |
|---|
| MNX_ID | MNXM185312 |
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| reference | slm:000471120 |
| formula | C31H53O13P2 |
| global charge | -3 |
| mol weight | 695.7 |
| InChIKey | OYDWMPDMHNYFDD-JUOXFUPRSA-K |
| InChI | InChI=1S/C31H56O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(34)40-26-29(44-30(33)4-2)27-43-46(38,39)42-25-28(32)24-41-45(35,36)37/h8-9,11-12,14-15,28-29,32H,3-7,10,13,16-27H2,1-2H3,(H,38,39)(H2,35,36,37)/p-3/b9-8-,12-11-,15-14-/t28-,29+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C31H56O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(34)40-26-29(44-30(33)4-2)27-43-46(38,39)42-25-28(32)24-41-45(35,36)37/h8-9,11-12,14-15,28-29,32H,3-7,10,13,16-27H2,1-2H3,(H,38,39)(H2,35,36,37)/b9-8-,12-11-,15-14-/t28-,29+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:31](=[O:34])[O:40][CH2:26][C@H:29]([CH2:27][O:43][P:46]([OH:38])(=[O:39])[O:42][CH2:25][C@H:28]([CH2:24][O:41][P:45]([OH:35])([OH:36])=[O:37])[OH:32])[O:44][C:30]([CH2:4][CH3:2])=[O:33] |
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