| Properties | Image |
|---|
| MNX_ID | MNXM344790 |
 |
| reference | slm:000437400 |
| formula | C32H59O16P2 |
| global charge | -3 |
| mol weight | 761.756 |
| InChIKey | BKJAFNJEMBHBQC-DJLSHSJLSA-K |
| InChI | InChI=1S/C32H62O16P2/c1-4-5-6-7-9-13-16-19-25(33)44-21-24(46-26(34)20-17-14-11-8-10-12-15-18-23(2)3)22-45-50(42,43)48-32-29(37)27(35)28(36)31(30(32)38)47-49(39,40)41/h23-24,27-32,35-38H,4-22H2,1-3H3,(H,42,43)(H2,39,40,41)/p-3/t24-,27-,28-,29-,30-,31+,32-/m1/s1 |
| SMILES | 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)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C32H62O16P2/c1-4-5-6-7-9-13-16-19-25(33)44-21-24(46-26(34)20-17-14-11-8-10-12-15-18-23(2)3)22-45-50(42,43)48-32-29(37)27(35)28(36)31(30(32)38)47-49(39,40)41/h23-24,27-32,35-38H,4-22H2,1-3H3,(H,42,43)(H2,39,40,41)/t24-,27-,28-,29-,30-,31+,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:9][CH2:13][CH2:16][CH2:19][C:25](=[O:33])[O:44][CH2:21][C@H:24]([CH2:22][O:45][P:50]([OH:42])(=[O:43])[O:48][C@@H:32]1[C@H:29]([OH:37])[C@H:27]([OH:35])[C@@H:28]([OH:36])[C@H:31]([O:47][P:49]([OH:39])([OH:40])=[O:41])[C@H:30]1[OH:38])[O:46][C:26]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:10][CH2:12][CH2:15][CH2:18][CH:23]([CH3:2])[CH3:3])=[O:34] |
|