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CHEBI:48935 - (E)-roxithromycin
| Formula | C41H76N2O15 |
| Net Charge | 0 |
| Average Mass | 837.058 |
| Monoisotopic Mass | 836.52457 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O |
| InChI | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 |
| InChIKey | RXZBMPWDPOLZGW-XMRMVWPWSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. antibacterial drug A drug used to treat or prevent bacterial infections. 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: | antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (E)-roxithromycin (CHEBI:48935) has role environmental contaminant (CHEBI:78298) |
| (E)-roxithromycin (CHEBI:48935) has role xenobiotic (CHEBI:35703) |
| (E)-roxithromycin (CHEBI:48935) is a roxithromycin (CHEBI:48844) |
| IUPAC Name |
|---|
| (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one |
| INNs | Source |
|---|---|
| roxithromycin | ChemIDplus |
| roxitromicina | ChemIDplus |
| roxithromycinum | ChemIDplus |
| roxithromycine | ChemIDplus |
| Synonyms | Source |
|---|---|
| ROXITHROMYCIN | PDBeChem |
| (9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime) | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| ROX | PDBeChem |
| HMDB0014916 | HMDB |
| 2410 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5900029 | Beilstein |
| Reaxys:5900029 | Reaxys |
| CAS:80214-83-1 | ChemIDplus |
| Citations |
|---|