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CHEBI:64984 - 7β-aminodeacetoxycephalosporanic acid
| Formula | C8H10N2O3S |
| Net Charge | 0 |
| Average Mass | 214.246 |
| Monoisotopic Mass | 214.04121 |
| SMILES | [H][C@]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2N |
| InChI | InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1 |
| InChIKey | NVIAYEIXYQCDAN-CLZZGJSISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) has functional parent cephalosporanic acid (CHEBI:23064) |
| 7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) is a cephalosporin (CHEBI:23066) |
| 7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 7-Aminodesacetoxycephalosporanic acid | ChemIDplus |
| 7-amino-3-methylceph-3-em-4-carboxylic acid | ChEBI |
| 7β-aminodeacetoxycephalosporanic acid | ChEBI |
| 3-methyl-7-amino-Δ3-cephem-4-carboxylic acid | ChEBI |
| 3-methyl-7-aminoceph-3-em-4-carboxylic acid | ChEBI |
| 7-aminodeacetoxycephalosporanic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1078249 | Reaxys |
| CAS:22252-43-3 | ChemIDplus |
| Citations |
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