| Properties | Image |
|---|
| MNX_ID | MNXM344434 |
 |
| reference | slm:000456585 |
| formula | C28H51O16P2 |
| global charge | -3 |
| mol weight | 705.648 |
| InChIKey | FSZJDXJLLGXQPJ-RTKZUSNTSA-K |
| InChI | InChI=1S/C28H54O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(30)42-20(18-40-21(29)16-4-2)19-41-46(38,39)44-28-25(33)23(31)24(32)27(26(28)34)43-45(35,36)37/h20,23-28,31-34H,3-19H2,1-2H3,(H,38,39)(H2,35,36,37)/p-3/t20-,23+,24+,25-,26-,27-,28+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H54O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(30)42-20(18-40-21(29)16-4-2)19-41-46(38,39)44-28-25(33)23(31)24(32)27(26(28)34)43-45(35,36)37/h20,23-28,31-34H,3-19H2,1-2H3,(H,38,39)(H2,35,36,37)/t20-,23+,24+,25-,26-,27-,28+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:17][C:22](=[O:30])[O:42][C@H:20]([CH2:18][O:40][C:21]([CH2:16][CH2:4][CH3:2])=[O:29])[CH2:19][O:41][P:46]([OH:38])(=[O:39])[O:44][C@H:28]1[C@H:25]([OH:33])[C@@H:23]([OH:31])[C@H:24]([OH:32])[C@@H:27]([O:43][P:45]([OH:35])([OH:36])=[O:37])[C@H:26]1[OH:34] |
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