EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176402 - PC(19:1(9Z)/0:0)

ChEBI IDCHEBI:176402
ChEBI NamePC(19:1(9Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H54NO7P
Net Charge0
Average Mass535.703
Monoisotopic Mass535.36379
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C27H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h13-14,26,29H,5-12,15-25H2,1-4H3/b14-13-/t26-/m1/s1
InChIKeyVRVDEVSSPPTZQJ-JKCKFMQZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(19:1(9Z)/0:0) (CHEBI:176402) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-2-hydroxy-3-[(Z)-nonadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01050130LIPID MAPS