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CHEBI:28368 - novobiocin
| Formula | C31H36N2O11 |
| Net Charge | 0 |
| Average Mass | 612.632 |
| Monoisotopic Mass | 612.23191 |
| SMILES | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C |
| InChI | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 |
| InChIKey | YJQPYGGHQPGBLI-KGSXXDOSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Streptomyces niveus (ncbitaxon:193462) | - | PubMed (19762445) |
| Roles Classification |
|---|
| Biological Roles: | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Application: | hepatoprotective agent Any compound that is able to prevent damage to the liver. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| novobiocin (CHEBI:28368) has role Escherichia coli metabolite (CHEBI:76971) |
| novobiocin (CHEBI:28368) has role antibacterial agent (CHEBI:33282) |
| novobiocin (CHEBI:28368) has role antimicrobial agent (CHEBI:33281) |
| novobiocin (CHEBI:28368) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750) |
| novobiocin (CHEBI:28368) has role hepatoprotective agent (CHEBI:62868) |
| novobiocin (CHEBI:28368) is a carbamate ester (CHEBI:23003) |
| novobiocin (CHEBI:28368) is a ether (CHEBI:25698) |
| novobiocin (CHEBI:28368) is a hexoside (CHEBI:35313) |
| novobiocin (CHEBI:28368) is a hydroxycoumarin (CHEBI:37912) |
| novobiocin (CHEBI:28368) is a monocarboxylic acid amide (CHEBI:29347) |
| novobiocin (CHEBI:28368) is a monosaccharide derivative (CHEBI:63367) |
| novobiocin (CHEBI:28368) is a phenols (CHEBI:33853) |
| novobiocin (CHEBI:28368) is conjugate acid of novobiocin(1−) (CHEBI:71339) |
| Incoming Relation(s) |
| novobiocin(1−) (CHEBI:71339) is conjugate base of novobiocin (CHEBI:28368) |
| INNs | Source |
|---|---|
| novobiocina | DrugBank |
| novobiocine | DrugBank |
| novobiocinum | DrugBank |
| Synonyms | Source |
|---|---|
| N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-β-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide | ChEBI |
| Novobiocin | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| 1974 | DrugCentral |
| C00002487 | KNApSAcK |
| C05080 | KEGG COMPOUND |
| C05080 | KEGG COMPOUND |
| DB01051 | DrugBank |
| HMDB0015185 | HMDB |
| LSM-5910 | LINCS |
| NOV | PDBeChem |
| WO2012049521 | Patent |
| WO2012103487 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1445842 | Reaxys |
| CAS:303-81-1 | ChemIDplus |
| CAS:303-81-1 | KEGG COMPOUND |
| Citations |
|---|