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CHEBI:28331 - erythromycin D
| Formula | C36H65NO12 |
| Net Charge | 0 |
| Average Mass | 703.911 |
| Monoisotopic Mass | 703.45068 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[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(=O)[C@H](C)[C@@H](O)[C@H]1C |
| InChI | InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 |
| InChIKey | CLQUUOKNEOQBSW-KEGKUKQHSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. 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. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| erythromycin D (CHEBI:28331) has functional parent erythronolide B (CHEBI:27977) |
| erythromycin D (CHEBI:28331) is a erythromycin (CHEBI:48923) |
| erythromycin D (CHEBI:28331) is conjugate base of erythromycin D(1+) (CHEBI:63677) |
| Incoming Relation(s) |
| erythromycin D(1+) (CHEBI:63677) is conjugate acid of erythromycin D (CHEBI:28331) |
| IUPAC Name |
|---|
| (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione |
| Synonym | Source |
|---|---|
| Erythromycin D | KEGG COMPOUND |