EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194266 - 2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid

ChEBI IDCHEBI:194266
ChEBI Name2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10N2O4S
Net Charge0
Average Mass230.245
Monoisotopic Mass230.03613
SMILESCc1cc(NC(=O)CSCC(=O)O)no1
InChIInChI=1S/C8H10N2O4S/c1-5-2-6(10-14-5)9-7(11)3-15-4-8(12)13/h2H,3-4H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyNCHMGTZBZZBPEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid (CHEBI:194266) is a isoxazoles (CHEBI:55373)
IUPAC Name 
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulanylacetic acid
Manual XrefsDatabases
302337ChemSpider