| Properties | Image |
MNX_ID | MNXM70849 |
 |
reference | lipidmapsM:LMGP01020077 |
formula | C43H86NO7P |
global charge | 0 |
mol weight | 760.135 |
InChIKey | VLRPEGJGFXIVID-VHONOUADSA-N |
InChI | InChI=1S/C43H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44(3,4)5)40-48-38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/m1/s1 |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C43H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44(3,4)5)40-48-38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/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]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:45])[O:51][C@H:42]([CH2:40][O:48][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:41][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:39][CH2:37][N+:44]([CH3:3])([CH3:4])[CH3:5] |
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