CHEBI:84794 - 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84794
ChEBI ASCII Name 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 36:4 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5E,8E,11E,14E-eicosatetraenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H80NO8P
Net Charge 0
Average Mass 782.08170
Monoisotopic Mass 781.56216
InChI InChI=1S/C44H80NO8P/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/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14+,21-20+,25-23+,31-29+/t42-/m1/s1
InChIKey IIZPXYDJLKNOIY-LBKRVYFZSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC
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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidylcholine 36:4 )
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ChEBI Ontology
Outgoing 1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84794) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84794) is a phosphatidylcholine 36:4 (CHEBI:64520)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
PC(16:0/20:4(5E,8E,11E,14E)) LIPID MAPS
PC(16:0/20:4) LIPID MAPS
Manual Xref Database
LMGP01010629 LIPID MAPS
View more database links
Last Modified
13 February 2015