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CHEBI:38707 - 3-carboxy-3-mercaptopropanoate

ChEBI IDCHEBI:38707
ChEBI Name3-carboxy-3-mercaptopropanoate
Stars
Last Modified22 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H5O4S
Net Charge-1
Average Mass149.147
Monoisotopic Mass148.99140
SMILESO=C([O-])CC(S)C(=O)O
InChIInChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)/p-1
InChIKeyNJRXVEJTAYWCQJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
1,2-dicarboxyethanethiolate (CHEBI:38709) is tautomer of 3-carboxy-3-mercaptopropanoate (CHEBI:38707)
IUPAC Name 
3-carboxy-3-sulfanylpropanoate
Registry NumbersSources
Beilstein:8141616Beilstein
Gmelin:2186863Gmelin