| Properties | Image |
|---|
| MNX_ID | MNXM192097 |
 |
| reference | slm:000432796 |
| formula | C31H55O16P2 |
| global charge | -3 |
| mol weight | 745.713 |
| InChIKey | LFPJNKRBDXZCHA-MJUKCCSNSA-K |
| InChI | InChI=1S/C31H58O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)43-21-23(45-25(33)19-4-2)22-44-49(41,42)47-31-28(36)26(34)27(35)30(29(31)37)46-48(38,39)40/h9-10,23,26-31,34-37H,3-8,11-22H2,1-2H3,(H,41,42)(H2,38,39,40)/p-3/b10-9+/t23-,26-,27-,28-,29-,30+,31-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C31H58O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(32)43-21-23(45-25(33)19-4-2)22-44-49(41,42)47-31-28(36)26(34)27(35)30(29(31)37)46-48(38,39)40/h9-10,23,26-31,34-37H,3-8,11-22H2,1-2H3,(H,41,42)(H2,38,39,40)/b10-9+/t23-,26-,27-,28-,29-,30+,31-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:24](=[O:32])[O:43][CH2:21][C@H:23]([CH2:22][O:44][P:49]([OH:41])(=[O:42])[O:47][C@@H:31]1[C@H:28]([OH:36])[C@H:26]([OH:34])[C@@H:27]([OH:35])[C@H:30]([O:46][P:48]([OH:38])([OH:39])=[O:40])[C@H:29]1[OH:37])[O:45][C:25]([CH2:19][CH2:4][CH3:2])=[O:33] |
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