EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:131668
ChEBI Name1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-methyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA 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.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC25H52NO7P
Net Charge0
Average Mass509.665
Monoisotopic Mass509.34814
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=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
InChIKeyCKGYHPCQZHSHKS-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS334)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-methyl-2-palmitoyl-sn-glycero-3-phosphocholineChEBI
PC(O-1:0/16:0)LIPID MAPS
phosphatidylcholine (O-1:0/16:0)ChEBI
Manual XrefsDatabases
24822831ChemSpider
LMGP01020004LIPID MAPS
Registry NumbersSources
Reaxys:26621034Reaxys