CHEBI:84344 - 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one

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ChEBI Name 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one ChEBI ID CHEBI:84344 ChEBI ASCII Name 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one Definition A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one 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 C11H12N2O4S Net Charge 0 Average Mass 268.28900 Monoisotopic Mass 268.05178 InChI InChI=1S/C11H12N2O4S/c12-6(11(16)17)1-5-2-7(14)10-8(3-5)18-4-9(15)13-10/h2-3,6,14H,1,4,12H2,(H,13,15)(H,16,17) InChIKey IRQPIGVFKBQNEM-UHFFFAOYSA-N SMILES NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed 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-3,4-dihydro-2H-1,4-benzothiazin-3-one (CHEBI:84344) has role human metabolite (CHEBI:77746) 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one (CHEBI:84344) is a benzothiazine (CHEBI:46899) 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one (CHEBI:84344) is a lactam (CHEBI:24995) 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one (CHEBI:84344) is a non-proteinogenic α-amino acid (CHEBI:83925) 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one (CHEBI:84344) is a phenols (CHEBI:33853) IUPAC Name 3-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-7-yl)alanine Registry Number Type Source 1626927 Reaxys Registry Number Reaxys Citation Type Source 18435615 PubMed citation SUBMITTER Last Modified 26 March 2015