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CHEBI:131689 - 1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:131689
ChEBI Name1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine
DefinitionA 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at posiitons 1 and 2 are specified respectively as hexadecanoyl and methyl.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC25H52NO7P
Net Charge0
Average Mass509.665
Monoisotopic Mass509.34814
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC
InChIInChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)31-22-24(30-5)23-33-34(28,29)32-21-20-26(2,3)4/h24H,6-23H2,1-5H3/t24-/m1/s1
InChIKeyAEGNMLQHVFYYLW-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS334)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine (CHEBI:131689) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine (CHEBI:131689) is a 1-acyl-2-alkyl-sn-glycero-3-phosphocholine (CHEBI:65215)
1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine (CHEBI:131689) is a hexadecanoic acid (CHEBI:15756)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-methoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-palmitoyl-2-methyl-sn-glycero-3-phosphocholineChEBI
PC(16:0/O-1:0)LIPID MAPS
Manual XrefsDatabases
LMGP01080021LIPID MAPS