CHEBI:192568 - 2-[(3-nitro-2-pyridyl)thio]propanoic acid

ChEBI IDCHEBI:192568
ChEBI Name2-[(3-nitro-2-pyridyl)thio]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8N2O4S
Net Charge0
Average Mass228.229
Monoisotopic Mass228.02048
SMILESCC(Sc1ncccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C8H8N2O4S/c1-5(8(11)12)15-7-6(10(13)14)3-2-4-9-7/h2-5H,1H3,(H,11,12)
InChIKeyMUDNTVKNHDLQJN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
2-[(3-nitro-2-pyridyl)thio]propanoic acid (CHEBI:192568) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
2-(3-nitropyridin-2-yl)sulanylpropanoic acid
Manual XrefsDatabases
2009629ChemSpider