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CHEBI:84822 - 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84822
ChEBI Name1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:2 in which the acyl groups positions 1 and 2 are specified as octadecanoyl and (9Z,12Z)-octadecadienoyl respectively.
Secondary ChEBI IDCHEBI:77708
Last Modified4 October 2016
Submitternamrata, nhn
DownloadsMolfile
FormulaC44H84NO8P
Net Charge0
Average Mass786.129
Monoisotopic Mass785.59346
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
InChIKeyFORFDCPQKJHEBF-VPUSDGANSA-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-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has functional parent linoleic acid (CHEBI:17351)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84822) is a phosphatidylcholine 36:2 (CHEBI:64433)
IUPAC Names 
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
GPCho(18:0/18:2n6)HMDB
GPCho(18:0/18:2w6)HMDB
GPCho(36:2)HMDB
Phosphatidylcholine(36:2)HMDB
PC(18:0/18:2w6)HMDB
PC(18:0/18:2n6)HMDB
UniProt Name  Source
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
CPD-8279MetaCyc
LMGP01010768LIPID MAPS
HMDB0008039HMDB
Registry NumbersSources
Reaxys:6089852Reaxys
CAS:27098-24-4ChemIDplus
Citations