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CHEBI:191164 - Rac-trans-4-cotininecarboxylic acid methyl ester

ChEBI IDCHEBI:191164
ChEBI NameRac-trans-4-cotininecarboxylic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2O3
Net Charge0
Average Mass234.255
Monoisotopic Mass234.10044
SMILESCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1
InChIInChI=1S/C12H14N2O3/c1-14-10(15)6-9(12(16)17-2)11(14)8-4-3-5-13-7-8/h3-5,7,9,11H,6H2,1-2H3/t9-,11-/m0/s1
InChIKeyLXSYCOKNUBLDNJ-ONGXEEELSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Rac-trans-4-cotininecarboxylic acid methyl ester (CHEBI:191164) is a pyridines (CHEBI:26421)
Rac-trans-4-cotininecarboxylic acid methyl ester (CHEBI:191164) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
methyl (2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
Manual XrefsDatabases
57546469ChemSpider