CHEBI:71048 - (S)-dihydrocamalexate

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ChEBI Name (S)-dihydrocamalexate ChEBI ID CHEBI:71048 ChEBI ASCII Name (S)-dihydrocamalexate Definition A monocarboxylic acid anion that is the conjugate base of (S)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H9N2O2S Net Charge -1 Average Mass 245.27700 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-/m1/s1 InChIKey GTTVJFCVXYCPHB-SNVBAGLBSA-M SMILES [H]n1cc(C2=N[C@H](CS2)C([O-])=O)c2ccccc12 ChEBI Ontology Outgoing (S)-dihydrocamalexate (CHEBI:71048) is a monocarboxylic acid anion (CHEBI:35757) (S)-dihydrocamalexate (CHEBI:71048) is conjugate base of (S)-dihydrocamalexic acid (CHEBI:47796) (S)-dihydrocamalexate (CHEBI:71048) is enantiomer of (R)-dihydrocamalexate (CHEBI:79200) Incoming (S)-dihydrocamalexic acid (CHEBI:47796) is conjugate acid of (S)-dihydrocamalexate (CHEBI:71048) (R)-dihydrocamalexate (CHEBI:79200) is enantiomer of (S)-dihydrocamalexate (CHEBI:71048) IUPAC Name (4S)-2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate Synonym Source (S)-dihydrocamalexate UniProt Citation Type Source 16766671 PubMed citation SUBMITTER Last Modified 19 September 2014