| Properties | Image |
|---|
| MNX_ID | MNXM344002 |
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| reference | slm:000456554 |
| formula | C29H51O16P2 |
| global charge | -3 |
| mol weight | 717.659 |
| InChIKey | VTDRDNGTTQBULZ-JTNTZHPJSA-K |
| InChI | InChI=1S/C29H54O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)43-21(19-41-22(30)17-4-2)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h12-13,21,24-29,32-35H,3-11,14-20H2,1-2H3,(H,39,40)(H2,36,37,38)/p-3/b13-12-/t21-,24+,25+,26-,27-,28-,29+/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCC(=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/C29H54O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)43-21(19-41-22(30)17-4-2)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h12-13,21,24-29,32-35H,3-11,14-20H2,1-2H3,(H,39,40)(H2,36,37,38)/b13-12-/t21-,24+,25+,26-,27-,28-,29+/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]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:18][C:23](=[O:31])[O:43][C@H:21]([CH2:19][O:41][C:22]([CH2:17][CH2:4][CH3:2])=[O:30])[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:25]([OH:33])[C@@H:28]([O:44][P:46]([OH:36])([OH:37])=[O:38])[C@H:27]1[OH:35] |
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