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

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ChEBI Name	1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine

ChEBI ID	CHEBI:131689

ChEBI ASCII Name	1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C25H52NO7P

Net Charge

Average Mass

509.658

Monoisotopic Mass

509.34814

InChI

InChI=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

InChIKey

AEGNMLQHVFYYLW-XMMPIXPASA-N

SMILES

C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC)COC(CCCCCCCCCCCCCCC)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. (via hexadecanoic acid ) 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. (via hexadecanoic acid ) 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). (via hexadecanoic acid ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via hexadecanoic acid )

ChEBI Ontology
Outgoing	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	Sources
1-palmitoyl-2-methyl-sn-glycero-3-phosphocholine	ChEBI
PC(16:0/O-1:0)	LIPID MAPS

Last Modified

16 November 2016