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CHEBI:84343 - 6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole

ChEBI IDCHEBI:84343
ChEBI Name6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole
Stars
DefinitionA member of the class of benzothiazoles bearing hydroxy and 2-amino-2-carboxyethyl substituents at positions 4 and 6 respectively.
Last Modified26 March 2015
Submittersjupe
DownloadsMolfile
FormulaC10H10N2O3S
Net Charge0
Average Mass238.268
Monoisotopic Mass238.04121
SMILESNC(Cc1cc(O)c2ncsc2c1)C(=O)O
InChIInChI=1S/C10H10N2O3S/c11-6(10(14)15)1-5-2-7(13)9-8(3-5)16-4-12-9/h2-4,6,13H,1,11H2,(H,14,15)
InChIKeyUMUZRISCJNWXTN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (18435615)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole (CHEBI:84343) has role human metabolite (CHEBI:77746)
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole (CHEBI:84343) is a benzothiazoles (CHEBI:37947)
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole (CHEBI:84343) is a non-proteinogenic α-amino acid (CHEBI:83925)
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole (CHEBI:84343) is a phenols (CHEBI:33853)
IUPAC Name 
3-(4-hydroxy-1,3-benzothiazol-6-yl)alanine
Registry NumbersSources
Reaxys:1582822Reaxys
Citations