CHEBI:193944 - 3-Mercapto-2-butanol

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-butanol
ChEBI ID CHEBI:193944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C4H10OS
Net Charge 0
Average Mass 106.180
Monoisotopic Mass 106.04524
InChI InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey MJQWABQELVFQJL-UHFFFAOYSA-N
SMILES SC(C(O)C)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Mercapto-2-butanol (CHEBI:193944) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-sulanylbutan-2-ol
Manual Xrefs Databases
55924 ChemSpider
D91539 KEGG DRUG
HMDB0040185 HMDB
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Registry Number Type Source
54812-86-1 CAS Registry Number ChemIDplus