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CHEBI:228581 - 2-{[2-oxo-2-(3-pyridylamino)ethyl]thio}acetic acid

Default Structure
ChEBI IDCHEBI:228581
ChEBI Name2-{[2-oxo-2-(3-pyridylamino)ethyl]thio}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10N2O3S
Net Charge0
Average Mass226.257
Monoisotopic Mass226.04121
SMILESO=C(O)CSCC(=O)Nc1cccnc1
InChIInChI=1S/C9H10N2O3S/c12-8(5-15-6-9(13)14)11-7-2-1-3-10-4-7/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKeyUBNUPKXJQSPYJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-{[2-oxo-2-(3-pyridylamino)ethyl]thio}acetic acid (CHEBI:228581) is a pyridines (CHEBI:26421)
IUPAC Name 
2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulanylacetic acid
Manual XrefsDatabases
2104069ChemSpider