CHEBI:221518 - Thiobutacin

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 Thiobutacin
ChEBI ID CHEBI:221518
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13NO3S
Net Charge 0
Average Mass 239.290
Monoisotopic Mass 239.06161
InChI InChI=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
InChIKey DGBICJRAEAUCGO-JTQLQIEISA-N
SMILES S([C@H](C(=O)O)CC(=O)C1=C(N)C=CC=C1)C
Metabolite of Species Details
Lentzea aerocolonigenes (NCBI:txid68170) See: PubMed
ChEBI Ontology
Outgoing Thiobutacin (CHEBI:221518) is a aromatic ketone (CHEBI:76224)
IUPAC Name
4-(2-aminophenyl)-2-methylsulanyl-4-oxobutanoic acid
Manual Xref Database
8167417 ChemSpider
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