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CHEBI:84823 - 1-octadecanoyl-2-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84823
ChEBI Name1-octadecanoyl-2-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (8Z,10Z,12Z,14Z)-eicosatetraenoyl respectively.
Last Modified16 February 2015
Submitternamrata
DownloadsMolfile
FormulaC46H84NO8P
Net Charge0
Average Mass810.151
Monoisotopic Mass809.59346
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C=C/C=C\C=C/CCCCC
InChIInChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,18,20,22-23,25,27,44H,6-13,15,17,19,21,24,26,28-43H2,1-5H3/b16-14-,20-18-,23-22-,27-25-/t44-/m1/s1
InChIKeyISIMLRCPRMOPDS-LBYIXAPGSA-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-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84823) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84823) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(8Z,10Z,12Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84823) is a phosphatidylcholine 38:4 (CHEBI:64526)
IUPAC Name 
(2R)-2-[(8Z,10Z,12Z,14Z)-icosa-8,10,12,14-tetraenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(18:0/20:4(8Z,10Z,12Z,14Z))LIPID MAPS
PC(18:0/20:4)LIPID MAPS
Manual XrefsDatabases
LMGP01010804LIPID MAPS