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

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ChEBI Name 1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84789
ChEBI ASCII Name 1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 34:3 in which the acyl groups specified at positions 1 and 2 are palmitoyl and (9Z,12Z,15Z)-octadecatrienoyl (α-linolenoyl) respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H78NO8P
Net Charge 0
Average Mass 756.04440
Monoisotopic Mass 755.54651
InChI InChI=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
InChIKey JMAYDGBZRHQJAT-QWFQJEORSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): 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.
(via phosphatidylcholine 34:3 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 functional parent hexadecanoic acid (CHEBI:15756)
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 Sources
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine LIPID MAPS
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine UniProt
1-palmitoyl-2-(α-linolenoyl)-sn-glycero-3-phosphocholine ChEBI
PC(16:0/18:3(9Z,12Z,15Z)) LIPID MAPS
PC(16:0/18:3) LIPID MAPS
Manual Xrefs Databases
HMDB0007975 HMDB
LMGP01010601 LIPID MAPS
View more database links
Last Modified
14 June 2017