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CHEBI:76071 - 2-oleoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:76071
ChEBI Name2-oleoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name2-oleoyl-sn-glycero-3-phosphocholine
DefinitionA lysophosphatidylcholine 18:1 in which the acyl group is specified as oleoyl and is located at position 2.
Last Modified15 December 2016
Submitterlaimo
DownloadsMolfile
FormulaC26H52NO7P
Net Charge0
Average Mass521.676
Monoisotopic Mass521.34814
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChIKeySULIDBRAXVDKBU-PTGWMXDISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:76071) has functional parent oleic acid (CHEBI:16196)
2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:76071) is a 2-acyl-sn-glycero-3-phosphocholine (CHEBI:57875)
2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:76071) is a oleoyl-sn-glycero-3-phosphocholine (CHEBI:76083)
IUPAC Name 
(2R)-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
2-18:1(ω-9) LPCSUBMITTER
2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
PC(0:0/18:1)LIPID MAPS
PC(0:0/18:1(9Z))LIPID MAPS
UniProt Name  Source
2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
HMDB0061701HMDB
LMGP01050082LIPID MAPS
Registry NumbersSources
Reaxys:9025730Reaxys