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CHEBI:84831 - 1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84831
ChEBI Name1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:3 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z)-octadecadienoyl respectively.
Last Modified16 February 2015
Submitternamrata
DownloadsMolfile
FormulaC44H82NO8P
Net Charge0
Average Mass784.113
Monoisotopic Mass783.57781
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C44H82NO8P/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/h20-23,27,29,42H,6-19,24-26,28,30-41H2,1-5H3/b22-20-,23-21-,29-27-/t42-/m1/s1
InChIKeyBXRLDROZWDUSGM-ZRYFCQOPSA-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-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84831) has functional parent (6Z,9Z)-octadecadienoic acid (CHEBI:82749)
1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84831) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84831) has role mouse metabolite (CHEBI:75771)
1-[(9Z)-octadecenoyl]-2-[(6Z,9Z)-octadecadienoyl]-sn-glycero-3-phosphocholine (CHEBI:84831) is a phosphatidylcholine 36:3 (CHEBI:64523)
IUPAC Name 
(2R)-2-[(6Z,9Z)-octadeca-6,9-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(18:1/18:2)LIPID MAPS
PC(18:1(9Z)/18:2(6Z,9Z))LIPID MAPS
Manual XrefsDatabases
LMGP01010893LIPID MAPS