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CHEBI:34112 - 1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:34112
ChEBI Name1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine (O-16:0/18:1) in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and oleoyl respectively.
Secondary ChEBI IDsCHEBI:75268, CHEBI:89906
Last Modified14 January 2021
Submitterlaimo
DownloadsMolfile
FormulaC42H84NO7P
Net Charge0
Average Mass746.108
Monoisotopic Mass745.59854
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1
InChIKeySIEDNCDNGMIKST-IYEJTHTFSA-N
Roles Classification
Biological Roles:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) has functional parent lysophosphatidylcholine O-16:0/0:0 (CHEBI:64496)
1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) has functional parent oleic acid (CHEBI:16196)
1-O-hexadecyl-2-oleoyl-sn-glycero-3-phosphocholine (CHEBI:34112) is a phosphatidylcholine (O-16:0/18:1) (CHEBI:136119)
IUPAC Names 
(2R)-3-(hexadecyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
(2R)-3-(hexadecyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineKEGG COMPOUND
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholineSUBMITTER
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-phosphatidylcholine betaineSUBMITTER
PC O-16:0/18:1(n-9)SUBMITTER
1-Palmityl-2-palmitoleoyl-sn-glycero-3-phosphocholineHMDB
PC(O-32:1)HMDB
UniProt Name  Source
1-O-hexadecyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
C13894KEGG COMPOUND
LMGP01020003LIPID MAPS
HMDB0013404HMDB
LMGP01020003LIPID MAPS
Registry NumbersSources
Reaxys:9539602Reaxys
Reaxys:9539602Reaxys
CAS:79645-38-8ChemIDplus
Citations