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CHEBI:47794 - dihydrocamalexic acid

ChEBI IDCHEBI:47794
ChEBI Namedihydrocamalexic acid
Stars
Last Modified3 December 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H10N2O2S
Net Charge0
Average Mass246.291
Monoisotopic Mass246.04630
SMILES[H]n1cc(C2=NC(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)
InChIKeyGTTVJFCVXYCPHB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dihydrocamalexic acid (CHEBI:47794) has functional parent camalexin (CHEBI:22990)
dihydrocamalexic acid (CHEBI:47794) is a 1,3-thiazoles (CHEBI:38418)
dihydrocamalexic acid (CHEBI:47794) is a imidothioate (CHEBI:83991)
dihydrocamalexic acid (CHEBI:47794) is a indoles (CHEBI:24828)
dihydrocamalexic acid (CHEBI:47794) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
(R)-dihydrocamalexic acid (CHEBI:47795) is a dihydrocamalexic acid (CHEBI:47794)
(S)-dihydrocamalexic acid (CHEBI:47796) is a dihydrocamalexic acid (CHEBI:47794)
IUPAC Name 
2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid