CHEBI:38707 - 3-carboxy-3-mercaptopropanoate

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ChEBI Name 3-carboxy-3-mercaptopropanoate
ChEBI ID CHEBI:38707
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H5O4S
Net Charge -1
Average Mass 149.14610
Monoisotopic Mass 148.99140
InChI InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/p-1
InChIKey NJRXVEJTAYWCQJ-UHFFFAOYSA-M
SMILES OC(=O)C(S)CC([O-])=O
ChEBI Ontology
Outgoing 3-carboxy-3-mercaptopropanoate (CHEBI:38707) is a thiomalate(1−) (CHEBI:38708)
3-carboxy-3-mercaptopropanoate (CHEBI:38707) is tautomer of 1,2-dicarboxyethanethiolate (CHEBI:38709)
Incoming 1,2-dicarboxyethanethiolate (CHEBI:38709) is tautomer of 3-carboxy-3-mercaptopropanoate (CHEBI:38707)
IUPAC Name
3-carboxy-3-sulfanylpropanoate
Registry Numbers Types Sources
2186863 Gmelin Registry Number Gmelin
8141616 Beilstein Registry Number Beilstein
Last Modified
28 June 2007