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CHEBI:230580 - 2-oxoclopidogrel

Default Structure
ChEBI IDCHEBI:230580
ChEBI Name2-oxoclopidogrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16ClNO3S
Net Charge0
Average Mass337.828
Monoisotopic Mass337.05394
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCC2SC(=O)C=C2C1
InChIInChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-/m0/s1
InChIKeyJBSAZVIMJUOBNB-WUJWULDRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
2-oxoclopidogrel (CHEBI:230580) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl (2S)-2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
Manual XrefsDatabases
28518812ChemSpider
HMDB0013929HMDB