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CHEBI:187987 - PC(13:0/0:0)

ChEBI IDCHEBI:187987
ChEBI NamePC(13:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H44NO7P
Net Charge0
Average Mass453.557
Monoisotopic Mass453.28554
SMILESCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C21H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22(2,3)4/h20,23H,5-19H2,1-4H3/t20-/m1/s1
InChIKeyWNRCJJWBAXNAPE-HXUWFJFHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/0:0) (CHEBI:187987) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-2-hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01050001LIPID MAPS
24686170ChemSpider