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CHEBI:84789 - 1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:84789
ChEBI Name1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 34:3 in which the acyl groups specified at positions 1 and 2 are palmitoyl and (9Z,12Z,15Z)-octadecatrienoyl (α-linolenoyl) respectively.
Last Modified14 June 2017
Submitternamrata
DownloadsMolfile
FormulaC42H78NO8P
Net Charge0
Average Mass756.059
Monoisotopic Mass755.54651
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
InChIKeyJMAYDGBZRHQJAT-QWFQJEORSA-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).
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:84789) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:84789) has functional parent α-linolenic acid (CHEBI:27432)
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:84789) has role mouse metabolite (CHEBI:75771)
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:84789) is a phosphatidylcholine 34:3 (CHEBI:64424)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholineLIPID MAPS
1-palmitoyl-2-(α-linolenoyl)-sn-glycero-3-phosphocholineChEBI
PC(16:0/18:3)LIPID MAPS
PC(16:0/18:3(9Z,12Z,15Z))LIPID MAPS
UniProt Name  Source
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
HMDB0007975HMDB
LMGP01010601LIPID MAPS