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 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
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)
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)
Registry Number Type Source
1626927 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18435615 PubMed citation SUBMITTER
Last Modified
26 March 2015