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CHEBI:71048 - (S)-dihydrocamalexate

ChEBI IDCHEBI:71048
ChEBI Name(S)-dihydrocamalexate
Stars
ASCII Name(S)-dihydrocamalexate
DefinitionA monocarboxylic acid anion that is the conjugate base of (S)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group.
Last Modified19 September 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H9N2O2S
Net Charge-1
Average Mass245.283
Monoisotopic Mass245.03902
SMILES[H]n1cc(C2=N[C@@H](C(=O)[O-])CS2)c2ccccc21
InChIInChI=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
InChIKeyGTTVJFCVXYCPHB-SNVBAGLBSA-M
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
UniProt Name  Source
(S)-dihydrocamalexateUniProt
Citations