| Properties | Image |
|---|
| MNX_ID | MNXM324753 |
 |
| reference | slm:000436831 |
| formula | C42H75O16P2 |
| global charge | -3 |
| mol weight | 897.994 |
| InChIKey | QULRVQKWYUKTKD-CGUGXDTCSA-K |
| InChI | InChI=1S/C42H78O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)56-34(32-54-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h8,10,14,16,34,37-42,45-48H,3-7,9,11-13,15,17-33H2,1-2H3,(H,52,53)(H2,49,50,51)/p-3/b10-8-,16-14-/t34-,37-,38-,39-,40-,41+,42-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=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)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H78O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)56-34(32-54-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h8,10,14,16,34,37-42,45-48H,3-7,9,11-13,15,17-33H2,1-2H3,(H,52,53)(H2,49,50,51)/b10-8-,16-14-/t34-,37-,38-,39-,40-,41+,42-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:56][C@H:34]([CH2:32][O:54][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:43])[CH2:33][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] |
|