EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74966 - 1-lauroyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:74966
ChEBI Name1-lauroyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-lauroyl-sn-glycero-3-phosphocholine
DefinitionA 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as lauroyl (dodecanoyl)
Last Modified26 August 2015
Submitterlaimo
DownloadsMolfile
FormulaC20H42NO7P
Net Charge0
Average Mass439.530
Monoisotopic Mass439.26989
SMILESCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/t19-/m1/s1
InChIKeyBWKILASWCLJPBO-LJQANCHMSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-lauroyl-sn-glycero-3-phosphocholine (CHEBI:74966) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
1-lauroyl-sn-glycero-3-phosphocholine (CHEBI:74966) is a dodecanoate ester (CHEBI:87659)
IUPAC Name 
(2R)-3-(dodecanoyloxy)-2-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-dodecanoyl-sn-glycero-3-phosphocholineSUBMITTER
1-lauroyllysophosphatidylcholineSUBMITTER
1-dodecanoyllysophosphatidylcholineChEBI
PC(12:0/0:0)ChEBI
UniProt Name  Source
1-dodecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01050009LIPID MAPS
Registry NumbersSources
Reaxys:5774277Reaxys
CAS:20559-18-6ChemIDplus