6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile (CHEBI:228563)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile

ChEBI ID	CHEBI:228563

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H8N2O2S

Net Charge

Average Mass

232.260

Monoisotopic Mass

232.03065

InChI

InChI=1S/C11H8N2O2S/c1-16-10-5-8(9-3-2-4-15-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)

InChIKey

UDZOHIGKGRQLHH-UHFFFAOYSA-N

SMILES

S(C=1C=C(NC(=O)C1C#N)C=2OC=CC2)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile (CHEBI:228563) is a aryl sulfide (CHEBI:35683)

IUPAC Name

6-(uran-2-yl)-4-methylsulanyl-2-oxo-1H-pyridine-3-carbonitrile