raphanusamic acid (CHEBI:136957)

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ChEBI Name	raphanusamic acid

ChEBI ID	CHEBI:136957

Definition	A thiazolidinemonocarboxylic acid that is 2-thioxo-1,3-thiazolidine with the carboxy group located at position 4 (the R-enantiomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C4H5NO2S2

Net Charge

Average Mass

163.220

Monoisotopic Mass

162.97617

InChI

InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1

InChIKey

SQUOCHQOQMZGQP-REOHCLBHSA-N

SMILES

N1C(SC[C@H]1C(=O)O)=S

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in urine (BTO:0001419). See: PubMed
Arabidopsis thaliana (NCBI:txid3702)	See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound.

ChEBI Ontology
Outgoing	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	Sources
(4R)-2-thioxo-4-thiazolidinecarboxylic acid	ChEBI
(4R)-5-carboxythiazolidine-2-thione	ChEBI
(R)-(-)-2-thioxo-4-thiazolidinecarboxylic acid	HMDB

Last Modified

20 April 2018