| Properties | Image |
MNX_ID | MNXM70063 |
 |
reference | lipidmapsM:LMGP01011840 |
formula | C43H80NO8P |
global charge | 0 |
mol weight | 770.086 |
InChIKey | OSENYEYGNWDIMS-BUGIDYBZSA-N |
InChI | InChI=1S/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14-17,20-21,41H,6-13,18-19,22-40H2,1-5H3/b16-14-,17-15-,21-20-/t41-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C43H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-19-17-15-13-11-9-7-2/h14-17,20-21,41H,6-13,18-19,22-40H2,1-5H3/b16-14-,17-15-,21-20-/t41-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:49][CH2:39][C@H:41]([CH2:40][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:38][CH2:37][N+:44]([CH3:3])([CH3:4])[CH3:5])[O:52][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:46] |
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