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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:138400 - 4-sulfanylbutanoic acid
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ChEBI Name
4-sulfanylbutanoic acid
ChEBI ID
CHEBI:138400
Definition
A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 has been replaced by a thiol group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C4H8O2S
Net Charge
0
Average Mass
120.171
Monoisotopic Mass
120.02450
InChI
InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
InChIKey
DTRIDVOOPAQEEL-UHFFFAOYSA-N
SMILES
SCCCC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
4-mercaptobutanoic acid
IUPAC
4-mercaptobutyric acid
ChemIDplus
4-sulfanylbutyric acid
ChEBI
γ-mercaptobutanoic acid
ChEBI
γ-mercaptobutyric acid
ChemIDplus
γ-sulfanylbutyric acid
ChEBI
Manual Xref
Database
CPD-16589
MetaCyc
View more database links
Registry Numbers
Types
Sources
13095-73-3
CAS Registry Number
ChemIDplus
773863
Reaxys Registry Number
Reaxys
Citations
Types
Sources
26407888
PubMed citation
Europe PMC
27564089
PubMed citation
Europe PMC
27977722
PubMed citation
Europe PMC
Last Modified
07 September 2017