EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138400 - 4-sulfanylbutanoic acid

ChEBI IDCHEBI:138400
ChEBI Name4-sulfanylbutanoic acid
Stars
DefinitionA monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 has been replaced by a thiol group.
Last Modified7 September 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC4H8O2S
Net Charge0
Average Mass120.173
Monoisotopic Mass120.02450
SMILESO=C(O)CCCS
InChIInChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
InChIKeyDTRIDVOOPAQEEL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-sulfanylbutanoic acid (CHEBI:138400) is a monocarboxylic acid (CHEBI:25384)
4-sulfanylbutanoic acid (CHEBI:138400) is a thiol (CHEBI:29256)
4-sulfanylbutanoic acid (CHEBI:138400) is conjugate acid of 4-sulfanylbutanoate (CHEBI:138358)
Incoming Relation(s)
4,4'-disulfanyldibutanoic acid (CHEBI:138402) has functional parent 4-sulfanylbutanoic acid (CHEBI:138400)
4-sulfanylbutanoate (CHEBI:138358) is conjugate base of 4-sulfanylbutanoic acid (CHEBI:138400)
IUPAC Name 
4-sulfanylbutanoic acid
Synonyms  Source
4-mercaptobutanoic acidIUPAC
γ-mercaptobutanoic acidChEBI
γ-mercaptobutyric acidChemIDplus
4-mercaptobutyric acidChemIDplus
4-sulfanylbutyric acidChEBI
γ-sulfanylbutyric acidChEBI
Manual XrefsDatabases
CPD-16589MetaCyc
Registry NumbersSources
Reaxys:773863Reaxys
CAS:13095-73-3ChemIDplus
Citations