| Properties | Image |
|---|
| MNX_ID | MNXM69931 |
 |
| reference | lipidmapsM:LMGP01011764 |
| formula | C44H86NO8P |
| global charge | 0 |
| mol weight | 788.145 |
| InChIKey | PSRZTOWQISYSQH-RSSWDJSTSA-N |
| InChI | InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h22-23,42H,6-21,24-41H2,1-5H3/b23-22-/t42-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h22-23,42H,6-21,24-41H2,1-5H3/b23-22-/t42-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:23]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:46])[O:50][CH2:40][C@H:42]([CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:53][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47] |
|