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CHEBI:84816 - 1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84816
ChEBI Name1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC44H78NO8P
Net Charge0
Average Mass780.081
Monoisotopic Mass779.54651
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,29,31,42H,6-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
InChIKeyDYDDZDMJSQYFGN-OIVUZXIWSA-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)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84816) has functional parent arachidonic acid (CHEBI:15843)
1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84816) has functional parent palmitoleic acid (CHEBI:28716)
1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84816) has role mouse metabolite (CHEBI:75771)
1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine (CHEBI:84816) is a phosphatidylcholine 36:5 (CHEBI:64504)
IUPAC Name 
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))LIPID MAPS
PC(16:1/20:4)LIPID MAPS
Phosphatidylcholine(16:1/20:4)HMDB
PC(16:1w7/20:4w6)HMDB
1-Palmitoleoyl-2-arachidonoyl-sn-glycero-3-phosphocholineHMDB
Phosphatidylcholine(16:1w7/20:4w6)HMDB
Manual XrefsDatabases
LMGP01010695LIPID MAPS
HMDB0008015HMDB