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CHEBI:29007 - ceftriaxone
| Formula | C18H18N8O7S3 |
| Net Charge | 0 |
| Average Mass | 554.592 |
| Monoisotopic Mass | 554.04606 |
| SMILES | [H][C@]12SCC(CSc3nc(=O)c(=O)nn3C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1 |
| InChI | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
| InChIKey | VAAUVRVFOQPIGI-SPQHTLEESA-N |
| Wikipedia |
|---|
| Roles Classification |
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| Biological Roles: | EC 3.5.2.6 (beta-lactamase) inhibitor An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of β-lactamase (EC 3.5.2.6). drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections. 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. |
| Applications: | drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections. drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ceftriaxone (CHEBI:29007) has role antibacterial drug (CHEBI:36047) |
| ceftriaxone (CHEBI:29007) has role drug allergen (CHEBI:88188) |
| ceftriaxone (CHEBI:29007) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625) |
| ceftriaxone (CHEBI:29007) is a 1,2,4-triazines (CHEBI:39410) |
| ceftriaxone (CHEBI:29007) is a 1,3-thiazoles (CHEBI:38418) |
| ceftriaxone (CHEBI:29007) is a cephalosporin (CHEBI:23066) |
| ceftriaxone (CHEBI:29007) is a oxime O-ether (CHEBI:36816) |
| ceftriaxone (CHEBI:29007) is conjugate acid of ceftriaxone(1−) (CHEBI:53658) |
| Incoming Relation(s) |
| ceftriaxone(1−) (CHEBI:53658) is conjugate base of ceftriaxone (CHEBI:29007) |
| IUPAC Name |
|---|
| 7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid |
| INNs | Source |
|---|---|
| ceftriaxona | ChemIDplus |
| ceftriaxone | KEGG DRUG |
| ceftriaxonum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | IUPAC |
| rocephin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 564 | DrugCentral |
| C06683 | KEGG COMPOUND |
| Ceftriaxone | Wikipedia |
| CPD-12294 | MetaCyc |
| D07659 | KEGG DRUG |
| DB01212 | DrugBank |
| GB2022090 | Patent |
| HMDB0015343 | HMDB |
| US4327210 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6495519 | Reaxys |
| CAS:73384-59-5 | KEGG DRUG |
| CAS:73384-59-5 | KEGG COMPOUND |
| CAS:73384-59-5 | ChemIDplus |
| Citations |
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