CHEBI:84301 - 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid ChEBI ID CHEBI:84301 ChEBI ASCII Name 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Definition A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. Stars This entity has been manually annotated by the ChEBI Team. Submitter Steve Jupe 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 C12H12N2O5S Net Charge 0 Average Mass 296.29900 Monoisotopic Mass 296.04669 InChI InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6,15H,1,4,13H2,(H,16,17)(H,18,19) InChIKey MYILHSJZODALKH-UHFFFAOYSA-N SMILES NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via benzothiazine ) View more via ChEBI Ontology ChEBI Ontology Outgoing 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid (CHEBI:84301) has role human metabolite (CHEBI:77746) 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid (CHEBI:84301) is a benzothiazine (CHEBI:46899) 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid (CHEBI:84301) is a dicarboxylic acid (CHEBI:35692) 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid (CHEBI:84301) is a non-proteinogenic α-amino acid (CHEBI:83925) 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid (CHEBI:84301) is a phenols (CHEBI:33853) IUPAC Name 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid Registry Number Type Source 9001365 Reaxys Registry Number Reaxys Citation Type Source 18435615 PubMed citation SUBMITTER Last Modified 26 March 2015