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

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ChEBI Name 3-mercapto-2-mercaptomethylpropanoic acid
ChEBI ID CHEBI:17919
Definition A sulfur-containing carboxylic acid consisting of isobutyric acid having mercapto substituents on both β-carbons.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11846, CHEBI:1571, CHEBI:20101
Supplier Information
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Formula C4H8O2S2
Net Charge 0
Average Mass 152.23712
Monoisotopic Mass 151.99657
InChI InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)
InChIKey KRHAHEQEKNJCSD-UHFFFAOYSA-N
SMILES OC(=O)C(CS)CS
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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-mercaptomethylpropanoate KEGG COMPOUND
Manual Xrefs Databases
C00000305 KNApSAcK
C04371 KEGG COMPOUND
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Last Modified
15 January 2019