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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:136957 - raphanusamic acid
Main
ChEBI Ontology
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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.
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Formula
C4H5NO2S2
Net Charge
0
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
(4
R
)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
Synonyms
Sources
(4
R
)-2-thioxo-4-thiazolidinecarboxylic acid
ChEBI
(4
R
)-5-carboxythiazolidine-2-thione
ChEBI
(R)-(-)-2-thioxo-4-thiazolidinecarboxylic acid
HMDB
Manual Xrefs
Databases
2299167
ChemSpider
HMDB0041280
HMDB
View more database links
Registry Numbers
Types
Sources
82632
Reaxys Registry Number
Reaxys
98169-56-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10561079
PubMed citation
Europe PMC
28889336
PubMed citation
Europe PMC
29122987
PubMed citation
Europe PMC
9857474
PubMed citation
Europe PMC
Last Modified
20 April 2018