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
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 Waiting for Citations Type Source
16766671 PubMed citation SUBMITTER
Last Modified
19 September 2014