Ketcher 09071714212D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   14.1509   -4.9048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0116   -5.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8724   -4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7332   -5.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5937   -4.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4546   -5.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5937   -3.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  5  7  2  0     0  0
M  END
> <ID>
CHEBI:138400

> <NAME>
4-sulfanylbutanoic acid

> <DEFINITION>
A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 has been replaced by a thiol group.

> <STAR>
3

> <SYNONYM>
gamma-sulfanylbutyric acid; gamma-mercaptobutyric acid; gamma-mercaptobutanoic acid; 4-sulfanylbutyric acid; 4-mercaptobutyric acid; 4-mercaptobutanoic acid

> <IUPAC_NAME>
4-sulfanylbutanoic acid

> <FORMULA>
C4H8O2S

> <MASS>
120.171

> <MONOISOTOPIC_MASS>
120.02450

> <CHARGE>
0

> <SMILES>
SCCCC(O)=O

> <INCHI>
InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)

> <INCHIKEY>
DTRIDVOOPAQEEL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13095-73-3

> <REAXYS_REGISTRY_NUMBER>
773863

> <CHEMIDPLUS>
13095-73-3

> <METACYC_ACCESSION>
CPD-16589

> <PUBMED_CITATION>
26407888; 27564089; 27977722

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