| Properties | Image |
|---|
| MNX_ID | MNXM188461 |
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| reference | slm:000471266 |
| formula | C31H59O13P2 |
| global charge | -3 |
| mol weight | 701.748 |
| InChIKey | DGPHKQAZQZTULG-URLMMPGGSA-K |
| InChI | InChI=1S/C31H62O13P2/c1-4-5-6-7-8-9-12-16-19-22-31(34)44-29(26-43-46(38,39)42-24-28(32)23-41-45(35,36)37)25-40-30(33)21-18-15-13-10-11-14-17-20-27(2)3/h27-29,32H,4-26H2,1-3H3,(H,38,39)(H2,35,36,37)/p-3/t28-,29+/m0/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C31H62O13P2/c1-4-5-6-7-8-9-12-16-19-22-31(34)44-29(26-43-46(38,39)42-24-28(32)23-41-45(35,36)37)25-40-30(33)21-18-15-13-10-11-14-17-20-27(2)3/h27-29,32H,4-26H2,1-3H3,(H,38,39)(H2,35,36,37)/t28-,29+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:12][CH2:16][CH2:19][CH2:22][C:31](=[O:34])[O:44][C@H:29]([CH2:25][O:40][C:30]([CH2:21][CH2:18][CH2:15][CH2:13][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][CH:27]([CH3:2])[CH3:3])=[O:33])[CH2:26][O:43][P:46]([OH:38])(=[O:39])[O:42][CH2:24][C@H:28]([CH2:23][O:41][P:45]([OH:35])([OH:36])=[O:37])[OH:32] |
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