| Properties | Image |
|---|
| MNX_ID | MNXM69445 |
 |
| reference | lipidmapsM:LMGP01011518 |
| formula | C47H92NO8P |
| global charge | 0 |
| mol weight | 830.226 |
| InChIKey | UJFJWWWEJCXWQF-JGGZRYCBSA-N |
| InChI | InChI=1S/C47H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h23-24,45H,6-22,25-44H2,1-5H3/b24-23-/t45-/m1/s1 |
| SMILES | CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C47H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h23-24,45H,6-22,25-44H2,1-5H3/b24-23-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:56][C@H:45]([CH2:43][O:53][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:49])[CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5] |
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