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CHEBI:84301 - 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid
| Formula | C12H12N2O5S |
| Net Charge | 0 |
| Average Mass | 296.304 |
| Monoisotopic Mass | 296.04669 |
| SMILES | NC(Cc1cc(O)c2c(c1)SCC(C(=O)O)=N2)C(=O)O |
| 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 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Numbers | Sources |
|---|---|
| Reaxys:9001365 | Reaxys |
| Citations |
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