CHEBI:18091 - asparagusic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways
ChEBI Name asparagusic acid
ChEBI ID CHEBI:18091
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22657, CHEBI:2876
Supplier Information
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Formula C4H6O2S2
Net Charge 0
Average Mass 150.22124
InChI InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
InChIKey AYGMEFRECNWRJC-UHFFFAOYSA-N
SMILES OC(=O)C1CSSC1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 asparagusate (CHEBI:13862) is conjugate base of asparagusic acid (CHEBI:18091)
IUPAC Name
1,2-dithiolane-4-carboxylic acid
Synonyms Sources
Asparagusate KEGG COMPOUND
asparagusic acid ChemIDplus
Asparagusic acid KEGG COMPOUND
Database Links Databases
C00000304 KNApSAcK
C01892 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
112178 Beilstein Registry Number Beilstein
2224-02-4 CAS Registry Number KEGG COMPOUND
2224-02-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014