EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178586 - PC(0:0/3:1(2E))

ChEBI IDCHEBI:178586
ChEBI NamePC(0:0/3:1(2E))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22NO7P
Net Charge0
Average Mass311.271
Monoisotopic Mass311.11339
SMILESC=CC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO7P/c1-5-11(14)19-10(8-13)9-18-20(15,16)17-7-6-12(2,3)4/h5,10,13H,1,6-9H2,2-4H3/t10-/m1/s1
InChIKeySMXIWOJKKJRNEB-SNVBAGLBSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PC(0:0/3:1(2E)) (CHEBI:178586) is a 2-acyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16728)
IUPAC Name 
[(2R)-3-hydroxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01050088LIPID MAPS
24823034ChemSpider