| Properties | Image |
|---|
| MNX_ID | MNXM213788 |
 |
| reference | slm:000452763 |
| formula | C42H77O16P2 |
| global charge | -3 |
| mol weight | 900.01 |
| InChIKey | DRILSBFORLTSOK-SHOISLHFSA-K |
| InChI | InChI=1S/C42H80O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-36(44)56-34(31-54-35(43)29-26-23-20-18-15-16-19-22-25-28-33(2)3)32-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h14,17,33-34,37-42,45-48H,4-13,15-16,18-32H2,1-3H3,(H,52,53)(H2,49,50,51)/p-3/b17-14-/t34-,37+,38+,39-,40-,41-,42+/m1/s1 |
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/C42H80O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-30-36(44)56-34(31-54-35(43)29-26-23-20-18-15-16-19-22-25-28-33(2)3)32-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h14,17,33-34,37-42,45-48H,4-13,15-16,18-32H2,1-3H3,(H,52,53)(H2,49,50,51)/b17-14-/t34-,37+,38+,39-,40-,41-,42+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:17]\[CH2:21][CH2:24][CH2:27][CH2:30][C:36](=[O:44])[O:56][C@H:34]([CH2:31][O:54][C:35]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:43])[CH2:32][O:55][P:60]([OH:52])(=[O:53])[O:58][C@H:42]1[C@H:39]([OH:47])[C@@H:37]([OH:45])[C@H:38]([OH:46])[C@@H:41]([O:57][P:59]([OH:49])([OH:50])=[O:51])[C@H:40]1[OH:48] |
|