| Properties | Image |
|---|
| MNX_ID | MNXM69491 |
 |
| reference | lipidmapsM:LMGP01011554 |
| formula | C39H72NO8P |
| global charge | 0 |
| mol weight | 713.978 |
| InChIKey | MRYKVEPNJHWSQC-HCZPJJGMSA-N |
| InChI | InChI=1S/C39H72NO8P/c1-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-24-21-17-15-13-11-9-7-2/h12-15,18-19,37H,6-11,16-17,20-36H2,1-5H3/b14-12-,15-13-,19-18-/t37-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C39H72NO8P/c1-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-24-21-17-15-13-11-9-7-2/h12-15,18-19,37H,6-11,16-17,20-36H2,1-5H3/b14-12-,15-13-,19-18-/t37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:41])[O:45][CH2:35][C@H:37]([CH2:36][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:34][CH2:33][N+:40]([CH3:3])([CH3:4])[CH3:5])[O:48][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:17]/[CH:15]=[CH:13]\[CH2:11][CH2:9][CH2:7][CH3:2])=[O:42] |
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