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PC(22:1(13Z)/P-18:1(9Z))

PropertiesImage
MNX_IDMNXM70449 Image of MNXM70449
referencehmdb:HMDB0008589
formulaC48H92NO7P
global charge0
mol weight826.238
InChIKeyJLVZEZTUUWTBQT-FZHXXZEZSA-N
InChIInChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-
SMILESCCCCCCCC/C=C\CCCCCC/C=C\OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h20-23,40,43,47H,6-19,24-39,41-42,44-46H2,1-5H3/b22-20-,23-21-,43-40-/t47? Image of MNXM70449
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:50])[O:54][CH2:45][CH:47]([CH2:46][O:56][P:57](=[O:51])([O-:52])[O:55][CH2:44][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:53]/[CH:43]=[CH:40]\[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2]
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
hmdb:HMDB0008589
JLVZEZTUUWTBQT-FZHXXZEZSA-N
PC(22:1(13Z)/P-18:1(9Z))
1-(13Z-Docosenoyl)-2-(1Z,9Z-octadecadienyl)-sn-glycero-3-phosphocholine
Glycerophosphocholine
Glycerophosphocholine(22:1(13Z)/p-18:1(9Z))
PC(22:1/P-18:1)
PC(22:2)
Phosphatidylcholine(22:1/p-18:1)
Phosphatidylcholine(22:2)
[2-({3-[(13Z)-docos-13-enoyloxy]-2-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphonato}oxy)ethyl]trimethylazanium
gpcho(22:1/P-18:1)
gpcho(22:2)
lecithin

hmdb:HMDB08589
secondary/obsolete/fantasy identifier