CHEBI:131668 - 1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:131668
ChEBI ASCII Name 1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as methyl and hexadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C25H52NO7P
Net Charge 0
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)33-24(22-30-5)23-32-34(28,29)31-21-20-26(2,3)4/h24H,6-23H2,1-5H3/t24-/m1/s1
InChIKey CKGYHPCQZHSHKS-XMMPIXPASA-N
SMILES C(OP(=O)(OCC[N+](C)(C)C)[O-])[C@@H](COC)OC(CCCCCCCCCCCCCCC)=O
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:131668) has functional parent hexadecanoic acid (CHEBI:15756)
1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:131668) has role mouse metabolite (CHEBI:75771)
1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:131668) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
IUPAC Name
(2R)-2-(hexadecanoyloxy)-3-methoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-methyl-2-palmitoyl-sn-glycero-3-phosphocholine ChEBI
PC(O-1:0/16:0) LIPID MAPS
phosphatidylcholine (O-1:0/16:0) ChEBI
Manual Xrefs Databases
24822831 ChemSpider
LMGP01020004 LIPID MAPS
View more database links
Registry Number Type Source
26621034 Reaxys Registry Number Reaxys
Last Modified
16 November 2016