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CHEBI:133664 - 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:133664
ChEBI Name1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
DefinitionA 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified6 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC48H84NO7P
Net Charge0
Average Mass818.174
Monoisotopic Mass817.59854
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
InChIKeyTXHZYNSTTCIWMJ-RXSQUPBGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:133664) is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:77286)
IUPAC Name 
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-(1-Enyl-palmitoyl)-2-docosahexaenoyl-sn-glycero-3-phosphocholineHMDB
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPCChEBI
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPC (P-18:0/22:6)ChEBI
1-[(1Z)-octadecenyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholineChEBI
GPC(P-18:0/22:6)ChEBI
PC(P-18:0/22:6)LIPID MAPS
Manual XrefsDatabases
HMDB0011229HMDB
LMGP01030014LIPID MAPS