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CHEBI:18091 - asparagusic acid

Default Structure
ChEBI IDCHEBI:18091
ChEBI Nameasparagusic acid
Stars
Secondary ChEBI IDsCHEBI:2876, CHEBI:22657
Last Modified28 July 2014
DownloadsMolfile
FormulaC4H6O2S2
Net Charge0
Average Mass150.224
Monoisotopic Mass149.98092
SMILESO=C(O)C1CSSC1
InChIInChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
InChIKeyAYGMEFRECNWRJC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
asparagusic acid (CHEBI:18091) has parent hydride 1,2-dithiolane (CHEBI:38226)
asparagusic acid (CHEBI:18091) is a dithiolanecarboxylic acid (CHEBI:38336)
asparagusic acid (CHEBI:18091) is a dithiolanes (CHEBI:39192)
asparagusic acid (CHEBI:18091) is a sulfur-containing carboxylic acid (CHEBI:33576)
asparagusic acid (CHEBI:18091) is conjugate acid of asparagusate (CHEBI:13862)
Incoming Relation(s)
asparagusate (CHEBI:13862) is conjugate base of asparagusic acid (CHEBI:18091)
IUPAC Name 
1,2-dithiolane-4-carboxylic acid
Synonyms  Source
AsparagusateKEGG COMPOUND
asparagusic acidChemIDplus
Asparagusic acidKEGG COMPOUND
Manual XrefsDatabases
C00000304KNApSAcK
C01892KEGG COMPOUND
Registry NumbersSources
Beilstein:112178Beilstein
CAS:2224-02-4KEGG COMPOUND
CAS:2224-02-4ChemIDplus