CHEBI:166838 - 3-Mercapto-2-butanone

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 3-Mercapto-2-butanone
ChEBI ID CHEBI:166838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C4H8OS
Net Charge 0
Average Mass 104.170
Monoisotopic Mass 104.02959
InChI InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
InChIKey XLMPYCGSRHSSSX-UHFFFAOYSA-N
SMILES SC(C(=O)C)C
Metabolite of Species Details
Enterobacter ludwigii (NCBI:txid299767) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Sphingobacterium faecium (NCBI:txid34087) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Pseudomonas protegens (NCBI:txid380021) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Stenotrophomonas maltophilia (NCBI:txid40324) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Citrobacter freundii (NCBI:txid546) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Klebsiella oxytoca (NCBI:txid571) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Serratia plymuthica (NCBI:txid82996) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Mercapto-2-butanone (CHEBI:166838) is a ketone (CHEBI:17087)
IUPAC Name
3-sulanylbutan-2-one
Manual Xrefs Databases
35442 ChemSpider
HMDB0031982 HMDB
View more database links
Registry Number Type Source
40789-98-8 CAS Registry Number ChemIDplus