| Properties | Image |
|---|
| MNX_ID | MNXM22918 |
 |
| reference | lipidmapsM:LMGP00000050 |
| formula | C39H77O8PS |
| global charge | 0 |
| mol weight | 737.078 |
| InChIKey | BDQBLFGUSROMJZ-DIPNUNPCSA-N |
| InChI | InChI=1S/C39H77O8PS/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(40)44-35-37(36-46-48(42,43)45-33-34-49(3)4)47-39(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3/t37-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[S+](C)C)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H77O8PS/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(40)44-35-37(36-46-48(42,43)45-33-34-49(3)4)47-39(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3/t37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][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:38](=[O:40])[O:44][CH2:35][C@H:37]([CH2:36][O:46][P:48](=[O:42])([O-:43])[O:45][CH2:33][CH2:34][S+:49]([CH3:3])[CH3:4])[O:47][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:41] |
|