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CHEBI:13862 - asparagusate

ChEBI IDCHEBI:13862
ChEBI Nameasparagusate
Stars
Last Modified13 November 2017
DownloadsMolfile
FormulaC4H5O2S2
Net Charge-1
Average Mass149.216
Monoisotopic Mass148.97364
SMILESO=C([O-])C1CSSC1
InChIInChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKeyAYGMEFRECNWRJC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
asparagusate (CHEBI:13862) has parent hydride 1,2-dithiolane (CHEBI:38226)
asparagusate (CHEBI:13862) is a dithiolanes (CHEBI:39192)
asparagusate (CHEBI:13862) is a monocarboxylic acid anion (CHEBI:35757)
asparagusate (CHEBI:13862) is conjugate base of asparagusic acid (CHEBI:18091)
Incoming Relation(s)
asparagusic acid (CHEBI:18091) is conjugate acid of asparagusate (CHEBI:13862)
IUPAC Name 
1,2-dithiolane-4-carboxylate
UniProt Name  Source
asparagusateUniProt
Registry NumbersSources
Beilstein:4800403Beilstein