CHEBI:228655 - 2-(methylthio)nicotinamide

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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 2-(methylthio)nicotinamide
ChEBI ID CHEBI:228655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H8N2OS
Net Charge 0
Average Mass 168.210
Monoisotopic Mass 168.03573
InChI InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChIKey YDYXNHSKBIZKFD-UHFFFAOYSA-N
SMILES S(C=1N=CC=CC1C(=O)N)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-(methylthio)nicotinamide (CHEBI:228655) has functional parent nicotinamide (CHEBI:17154)
2-(methylthio)nicotinamide (CHEBI:228655) is a pyridinecarboxamide (CHEBI:25529)
IUPAC Name
2-methylsulanylpyridine-3-carboxamide
Manual Xref Database
2054940 ChemSpider
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