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CHEBI:84820 - 1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84820
ChEBI Name1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (2E,4E)-octadecadienoyl respectively.
Last Modified16 February 2015
Submitternamrata
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)/C=C/C=C/CCCCCCCCCCCCC
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/h31,33,35,37,42H,6-30,32,34,36,38-41H2,1-5H3/b33-31+,37-35+/t42-/m1/s1
InChIKeyDTPHOVXVLBUQRC-BIFUJNFHSA-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-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84820) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84820) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84820) is a phosphatidylcholine 36:2 (CHEBI:64433)
IUPAC Name 
(2R)-2-[(2E,4E)-octadeca-2,4-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(18:0/18:2(2E,4E))LIPID MAPS
PC(18:0/18:2)LIPID MAPS
Manual XrefsDatabases
LMGP01010765LIPID MAPS