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CHEBI:221518 - Thiobutacin

ChEBI IDCHEBI:221518
ChEBI NameThiobutacin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO3S
Net Charge0
Average Mass239.296
Monoisotopic Mass239.06161
SMILESCS[C@@H](CC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C11H13NO3S/c1-16-10(11(14)15)6-9(13)7-4-2-3-5-8(7)12/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyDGBICJRAEAUCGO-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Lentzea aerocolonigenes (ncbitaxon:68170) - PubMed (15620255)
ChEBI Ontology
Outgoing Relation(s)
Thiobutacin (CHEBI:221518) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-(2-aminophenyl)-2-methylsulanyl-4-oxobutanoic acid
Manual XrefsDatabases
8167417ChemSpider