CHEBI:79200 - (R)-dihydrocamalexate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-dihydrocamalexate
ChEBI ID CHEBI:79200
ChEBI ASCII Name (R)-dihydrocamalexate
Definition A monocarboxylic acid anion that is the conjugate base of (R)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C12H9N2O2S
Net Charge -1
Average Mass 245.27800
Monoisotopic Mass 245.03902
InChI InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)/p-1/t10-/m0/s1
InChIKey GTTVJFCVXYCPHB-JTQLQIEISA-M
SMILES [O-]C(=O)[C@@H]1CSC(=N1)c1c[nH]c2ccccc12
ChEBI Ontology
Outgoing (R)-dihydrocamalexate (CHEBI:79200) is a monocarboxylic acid anion (CHEBI:35757)
(R)-dihydrocamalexate (CHEBI:79200) is conjugate base of (R)-dihydrocamalexic acid (CHEBI:47795)
(R)-dihydrocamalexate (CHEBI:79200) is enantiomer of (S)-dihydrocamalexate (CHEBI:71048)
Incoming (R)-dihydrocamalexic acid (CHEBI:47795) is conjugate acid of (R)-dihydrocamalexate (CHEBI:79200)
(S)-dihydrocamalexate (CHEBI:71048) is enantiomer of (R)-dihydrocamalexate (CHEBI:79200)
IUPAC Name
(4R)-2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Synonym Source
(R)-dihydrocamalexate UniProt
Citation Type Source
16766671 PubMed citation SUBMITTER
Last Modified
19 September 2014