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PC(22:1(11Z)/19:0)

PropertiesImage
MNX_IDMNXM70402 Image of MNXM70402
referencelipidmapsM:LMGP01012021
formulaC49H96NO8P
global charge0
mol weight858.28
InChIKeyZBFQJFNKGOHDPH-ITQMVGCCSA-N
InChIInChI=1S/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-23-21-19-17-15-13-11-9-7-2/h24-25,47H,6-23,26-46H2,1-5H3/b25-24-/t47-/m1/s1
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-23-21-19-17-15-13-11-9-7-2/h24-25,47H,6-23,26-46H2,1-5H3/b25-24-/t47-/m1/s1 Image of MNXM70402
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22]/[CH:24]=[CH:25]\[CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:51])[O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:44][CH2:43][N+:50]([CH3:3])([CH3:4])[CH3:5])[O:58][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:52]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMGP01012021
lipidmapsM:LMGP01012021
ZBFQJFNKGOHDPH-ITQMVGCCSA-N
PC(22:1(11Z)/19:0)
1-(11Z-docosenoyl)-2-nonadecanoyl-glycero-3-phosphocholine
PC 41:1
PC(19:0_22:1)
PC(41:1)