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CHEBI:86170 - 1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86170
ChEBI Name1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z)-octadecenoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H90NO8P
Net Charge0
Average Mass816.199
Monoisotopic Mass815.64041
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h17,19,44H,6-16,18,20-43H2,1-5H3/b19-17-/t44-/m1/s1
InChIKeyFFUSYBVVEOYOMV-VPMPJQFESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86170) has functional parent cis-vaccenic acid (CHEBI:50464)
1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86170) has functional parent icosanoic acid (CHEBI:28822)
1-eicosanoyl-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86170) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name 
(2R)-3-(icosanoyloxy)-2-{[(11Z)-octadec-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(20:0/18:1(11Z))LIPID MAPS
PC(20:0/18:1w7)HMDB
1-Arachidonyl-2-vaccenoyl-sn-glycero-3-phosphocholineHMDB
GPCho(20:0/18:1n7)HMDB
Phosphatidylcholine(20:0/18:1n7)HMDB
PC(20:0/18:1n7)HMDB
Manual XrefsDatabases
LMGP01011005LIPID MAPS
HMDB0008268HMDB