| Properties | Image |
|---|
| MNX_ID | MNXM186456 |
 |
| reference | slm:000445627 |
| formula | C39H72O19P3 |
| global charge | -5 |
| mol weight | 937.908 |
| InChIKey | YITBYFIUDDBUPI-FAWRQXPWSA-I |
| InChI | InChI=1S/C39H77O19P3/c1-29(2)23-19-15-11-8-6-5-7-9-13-18-22-26-33(41)55-31(27-53-32(40)25-21-17-14-10-12-16-20-24-30(3)4)28-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h29-31,34-39,42-44H,5-28H2,1-4H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/p-5/t31-,34-,35-,36-,37-,38+,39-/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H77O19P3/c1-29(2)23-19-15-11-8-6-5-7-9-13-18-22-26-33(41)55-31(27-53-32(40)25-21-17-14-10-12-16-20-24-30(3)4)28-54-61(51,52)58-39-35(43)37(56-59(45,46)47)34(42)38(36(39)44)57-60(48,49)50/h29-31,34-39,42-44H,5-28H2,1-4H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/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][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:13][CH2:18][CH2:22][CH2:26][C:33](=[O:41])[O:55][C@H:31]([CH2:27][O:53][C:32]([CH2:25][CH2:21][CH2:17][CH2:14][CH2:10][CH2:12][CH2:16][CH2:20][CH2:24][CH:30]([CH3:3])[CH3:4])=[O:40])[CH2:28][O:54][P:61]([OH:51])(=[O:52])[O:58][C@@H:39]1[C@H:35]([OH:43])[C@H:37]([O:56][P:59]([OH:45])([OH:46])=[O:47])[C@@H:34]([OH:42])[C@H:38]([O:57][P:60]([OH:48])([OH:49])=[O:50])[C@H:36]1[OH:44] |
|