| Properties | Image |
|---|
| MNX_ID | MNXM70018 |
 |
| reference | lipidmapsM:LMGP01011814 |
| formula | C45H86NO8P |
| global charge | 0 |
| mol weight | 800.156 |
| InChIKey | GXADTHFDGHUTLL-PPRNVHBYSA-N |
| InChI | InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h19-22,43H,6-18,23-42H2,1-5H3/b21-19-,22-20-/t43-/m1/s1 |
| SMILES | CCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C45H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-25-21-19-17-15-13-11-9-7-2/h19-22,43H,6-18,23-42H2,1-5H3/b21-19-,22-20-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:40][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25]/[CH:21]=[CH:19]\[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48] |
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