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CHEBI:73002 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:73002
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively.
Secondary ChEBI IDsCHEBI:41570, CHEBI:73798
Last Modified6 March 2017
Submitterabridge, mwilliams
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H80NO8P/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/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-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-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine (CHEBI:73002) is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine (CHEBI:60000)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine (CHEBI:73002) is a phosphatidylcholine 34:2 (CHEBI:64516)
IUPAC Names 
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
1-Palmitoyl-2-linoleoyl-sn-glycerophosphatidylcholineLIPID MAPS
Phosphatidylcholine(16:0/18:2ω6)LIPID MAPS
1-Palmitoyl-2-linoleoylphosphatidylcholineChemIDplus
GPCho(16:0/18:2)HMDB
LecithinHMDB
PC(16:0/18:2)HMDB
UniProt Name  Source
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
HMDB0007973HMDB
LMGP01010594LIPID MAPS
CPLPDBeChem
Registry NumbersSources
Reaxys:5209585Reaxys
CAS:6931-84-6ChemIDplus
Citations