EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168614 - PC(4:0/0:0)

Default Structure
ChEBI IDCHEBI:168614
ChEBI NamePC(4:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H26NO7P
Net Charge0
Average Mass327.314
Monoisotopic Mass327.14469
SMILESCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C12H26NO7P/c1-5-6-12(15)18-9-11(14)10-20-21(16,17)19-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyYOLSCEBOFNSEKU-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(4:0/0:0) (CHEBI:168614) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-3-butanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24823023ChemSpider
LMGP01050061LIPID MAPS