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CHEBI:17919 - 3-mercapto-2-mercaptomethylpropanoic acid

Default Structure
ChEBI IDCHEBI:17919
ChEBI Name3-mercapto-2-mercaptomethylpropanoic acid
Stars
DefinitionA sulfur-containing carboxylic acid consisting of isobutyric acid having mercapto substituents on both β-carbons.
Secondary ChEBI IDsCHEBI:1571, CHEBI:11846, CHEBI:20101
Last Modified15 January 2019
DownloadsMolfile
FormulaC4H8O2S2
Net Charge0
Average Mass152.240
Monoisotopic Mass151.99657
SMILESO=C(O)C(CS)CS
InChIInChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)
InChIKeyKRHAHEQEKNJCSD-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)
3-mercapto-2-mercaptomethylpropanoic acid (CHEBI:17919) has functional parent propionic acid (CHEBI:30768)
3-mercapto-2-mercaptomethylpropanoic acid (CHEBI:17919) is a dithiol (CHEBI:23853)
3-mercapto-2-mercaptomethylpropanoic acid (CHEBI:17919) is a sulfur-containing carboxylic acid (CHEBI:33576)
3-mercapto-2-mercaptomethylpropanoic acid (CHEBI:17919) is conjugate acid of 3-mercapto-2-mercaptomethylpropanoate(1−) (CHEBI:58322)
Incoming Relation(s)
3-mercapto-2-mercaptomethylpropanoate(1−) (CHEBI:58322) is conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid (CHEBI:17919)
IUPAC Name 
3-sulfanyl-2-(sulfanylmethyl)propanoic acid
Synonym  Source
3-Mercapto-2-mercaptomethylpropanoateKEGG COMPOUND
Manual XrefsDatabases
C00000305KNApSAcK
C04371KEGG COMPOUND
C04371KEGG COMPOUND