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CHEBI:136957 - raphanusamic acid

ChEBI IDCHEBI:136957
ChEBI Nameraphanusamic acid
Stars
DefinitionA thiazolidinemonocarboxylic acid that is 2-thioxo-1,3-thiazolidine with the carboxy group located at position 4 (the R-enantiomer).
Last Modified20 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC4H5NO2S2
Net Charge0
Average Mass163.223
Monoisotopic Mass162.97617
SMILESO=C(O)[C@@H]1CSC(=S)N1
InChIInChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKeySQUOCHQOQMZGQP-REOHCLBHSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS272)
- PubMed (27656890)
Mus musculus (ncbitaxon:10090) urine (BTO:0001419) PubMed (10561079)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
raphanusamic acid (CHEBI:136957) has role Arabidopsis thaliana metabolite (CHEBI:140602)
raphanusamic acid (CHEBI:136957) has role mouse metabolite (CHEBI:75771)
raphanusamic acid (CHEBI:136957) has role xenobiotic metabolite (CHEBI:76206)
raphanusamic acid (CHEBI:136957) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
IUPAC Name 
(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
Synonyms  Source
(4R)-2-thioxo-4-thiazolidinecarboxylic acidChEBI
(R)-(-)-2-thioxo-4-thiazolidinecarboxylic acidHMDB
(4R)-5-carboxythiazolidine-2-thioneChEBI
Manual XrefsDatabases
2299167ChemSpider
HMDB0041280HMDB
Registry NumbersSources
Reaxys:82632Reaxys
CAS:98169-56-3ChemIDplus
Citations