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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38712 - 2-mercaptosuccinate
Main
ChEBI Ontology
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ChEBI Name
2-mercaptosuccinate
ChEBI ID
CHEBI:38712
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This entity has been manually annotated by the ChEBI Team.
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Formula
C4H4O4S
Net Charge
-2
Average Mass
148.13816
Monoisotopic Mass
147.98413
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/p-2
InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(S)C([O-])=O
ChEBI Ontology
Outgoing
2-mercaptosuccinate (
CHEBI:38712
)
has functional parent
succinate(2−) (
CHEBI:30031
)
2-mercaptosuccinate (
CHEBI:38712
)
is a
C4-dicarboxylate (
CHEBI:61336
)
2-mercaptosuccinate (
CHEBI:38712
)
is a
thiomalate(2−) (
CHEBI:38710
)
2-mercaptosuccinate (
CHEBI:38712
)
is tautomer of
3-carboxy-2-sulfidopropanoate (
CHEBI:38714
)
Incoming
3-carboxy-2-sulfidopropanoate (
CHEBI:38714
)
is tautomer of
2-mercaptosuccinate (
CHEBI:38712
)
IUPAC Name
2-sulfanylbutanedioate
Synonym
Source
2-mercaptobutanedioate
ChEBI
Registry Numbers
Types
Sources
327565
Gmelin Registry Number
Gmelin
4986676
Beilstein Registry Number
Beilstein
Last Modified
16 February 2011