| Properties | Image |
|---|
| MNX_ID | MNXM70459 |
 |
| reference | lipidmapsM:LMGP01012044 |
| formula | C47H88NO8P |
| global charge | 0 |
| mol weight | 826.194 |
| InChIKey | IKNQUJCNUFWPTK-FQLDBRHISA-N |
| InChI | InChI=1S/C47H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h14,16,19-22,45H,6-13,15,17-18,23-44H2,1-5H3/b16-14-,21-19-,22-20-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h14,16,19-22,45H,6-13,15,17-18,23-44H2,1-5H3/b16-14-,21-19-,22-20-/t45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:21]=[CH:19]\[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50] |
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