EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186112 - PC(O-18:0/3:1(2E))

ChEBI IDCHEBI:186112
ChEBI NamePC(O-18:0/3:1(2E))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H58NO7P
Net Charge0
Average Mass563.757
Monoisotopic Mass563.39509
SMILESC=CC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C29H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-26-28(37-29(31)7-2)27-36-38(32,33)35-25-23-30(3,4)5/h7,28H,2,6,8-27H2,1,3-5H3/t28-/m1/s1
InChIKeyRBNQOFGDVZJUEQ-MUUNZHRXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PC(O-18:0/3:1(2E)) (CHEBI:186112) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-3-octadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822908ChemSpider
LMGP01020114LIPID MAPS