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CHEBI:86172 - 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86172
ChEBI Name1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and eicosanoyl respectively.
Last Modified25 June 2015
Submitternamrata
DownloadsMolfile
FormulaC46H90NO8P
Net Charge0
Average Mass816.199
Monoisotopic Mass815.64041
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1
InChIKeyMXRBMASUAJMEIJ-FHLWKLDVSA-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-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) has functional parent icosanoic acid (CHEBI:28822)
1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86172) is a phosphatidylcholine 38:1 (CHEBI:66860)
IUPAC Name 
(2R)-2-(icosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:1(9Z)/20:0)LIPID MAPS
1-Oleoyl-2-arachidonyl-sn-glycero-3-phosphocholineChEBI
GPCho(18:1n9/20:0)ChEBI
GPCho(18:1w9/20:0)ChEBI
PC(18:1w9/20:0)ChEBI
Phosphatidylcholine(18:1/20:0)ChEBI
Manual XrefsDatabases
HMDB0008109HMDB
LMGP01010902LIPID MAPS