| Properties | Image |
|---|
| MNX_ID | MNXM176645 |
 |
| reference | slm:000462813 |
| formula | C29H53O16P2 |
| global charge | -3 |
| mol weight | 719.675 |
| InChIKey | SMKFUUVVPKZUCB-TVCXQEDGSA-K |
| InChI | InChI=1S/C29H56O16P2/c1-3-5-7-9-11-13-15-17-22(30)41-19-21(43-23(31)18-16-14-12-10-8-6-4-2)20-42-47(39,40)45-29-26(34)24(32)28(25(33)27(29)35)44-46(36,37)38/h21,24-29,32-35H,3-20H2,1-2H3,(H,39,40)(H2,36,37,38)/p-3/t21-,24-,25+,26-,27-,28+,29+/m1/s1 |
| SMILES | CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C29H56O16P2/c1-3-5-7-9-11-13-15-17-22(30)41-19-21(43-23(31)18-16-14-12-10-8-6-4-2)20-42-47(39,40)45-29-26(34)24(32)28(25(33)27(29)35)44-46(36,37)38/h21,24-29,32-35H,3-20H2,1-2H3,(H,39,40)(H2,36,37,38)/t21-,24-,25+,26-,27-,28+,29+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][C:22](=[O:30])[O:41][CH2:19][C@H:21]([CH2:20][O:42][P:47]([OH:39])(=[O:40])[O:45][C@H:29]1[C@H:26]([OH:34])[C@@H:24]([OH:32])[C@H:28]([O:44][P:46]([OH:36])([OH:37])=[O:38])[C@@H:25]([OH:33])[C@H:27]1[OH:35])[O:43][C:23]([CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:31] |
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