| Properties | Image |
|---|
| MNX_ID | MNXM174871 |
 |
| reference | slm:000456368 |
| formula | C39H73O16P2 |
| global charge | -3 |
| mol weight | 859.945 |
| InChIKey | IJNYDKWKHQGYLZ-XNKNWWPTSA-K |
| InChI | InChI=1S/C39H76O16P2/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-32(40)51-27-31(53-33(41)26-22-18-14-10-6-8-12-16-20-24-30(3)4)28-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h29-31,34-39,42-45H,5-28H2,1-4H3,(H,49,50)(H2,46,47,48)/p-3/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCCC(=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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C39H76O16P2/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-32(40)51-27-31(53-33(41)26-22-18-14-10-6-8-12-16-20-24-30(3)4)28-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h29-31,34-39,42-45H,5-28H2,1-4H3,(H,49,50)(H2,46,47,48)/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:29]([CH3:2])[CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][C:32](=[O:40])[O:51][CH2:27][C@H:31]([CH2:28][O:52][P:57]([OH:49])(=[O:50])[O:55][C@H:39]1[C@H:36]([OH:44])[C@@H:34]([OH:42])[C@H:35]([OH:43])[C@@H:38]([O:54][P:56]([OH:46])([OH:47])=[O:48])[C@H:37]1[OH:45])[O:53][C:33]([CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH2:8][CH2:12][CH2:16][CH2:20][CH2:24][CH:30]([CH3:3])[CH3:4])=[O:41] |
|