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CHEBI:73001 - 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:73001
ChEBI Name1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively.
Last Modified22 November 2017
Submitterabridge
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKeyWTJKGGKOPKCXLL-VYOBOKEXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:73001) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:73001) has functional parent oleic acid (CHEBI:16196)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:73001) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:73001) is a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine (CHEBI:58293)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (CHEBI:73001) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/18:1(9Z))LIPID MAPS
1-hexadecanoyl-2-oleoyl-sn-glycero-3-phosphocholineSUBMITTER
PC(16:0/18:1ω9)LIPID MAPS
PC(16:0/18:1)LIPID MAPS
PalmitoyloleoylphosphatidylcholineLIPID MAPS
1-Palmitoyl-2-oleoylphosphatidylcholineChemIDplus
UniProt Name  Source
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010005LIPID MAPS
C13875KEGG COMPOUND
HMDB0007972HMDB
CPD-8157MetaCyc
Registry NumbersSources
Reaxys:3642717Reaxys
CAS:6753-55-5ChemIDplus
Citations