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CHEBI:74667 - 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:74667
ChEBI Name1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:1 in which the two acyl substituents at positions 1 and 2 are specified as oleoyl and palmitoyl respectively.
Last Modified14 June 2017
Submitterlaimo
DownloadsMolfile
FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKeyRRVPPYNAZJRZFR-VYOBOKEXSA-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-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:74667) has functional parent oleic acid (CHEBI:16196)
1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:74667) is a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:75279)
1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:74667) is a phosphatidylcholine 34:1 (CHEBI:64517)
IUPAC Name 
(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-(palmitoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-(Z)-octadec-9-enoyl-2-hexadecanoyl-sn-glycero-3-phosphocholineSUBMITTER
1-C18:1(ω-9)-2-C16:0-phosphatidylcholineSUBMITTER
PC(18:1/16:0)LIPID MAPS
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholineLIPID MAPS
PC(18:1(9Z)/16:0)LIPID MAPS
L-α-1-oleoyl-2-palmitoyl phosphatidylcholineLIPID MAPS
UniProt Name  Source
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010884LIPID MAPS
HMDB0008100HMDB
Registry NumbersSources
Reaxys:6259418Reaxys
CAS:6753-55-5ChemIDplus