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CHEBI:64273 - erythromycin C
| Formula | C36H65NO13 |
| Net Charge | 0 |
| Average Mass | 719.910 |
| Monoisotopic Mass | 719.44559 |
| 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@]1(C)O |
| InChI | InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 |
| InChIKey | MWFRKHPRXPSWNT-QNPWSHAKSA-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 C (CHEBI:64273) has functional parent erythronolide A (CHEBI:48848) |
| erythromycin C (CHEBI:64273) is a erythromycin (CHEBI:48923) |
| erythromycin C (CHEBI:64273) is conjugate base of erythromycin C(1+) (CHEBI:64258) |
| Incoming Relation(s) |
| erythromycin C(1+) (CHEBI:64258) is conjugate acid of erythromycin C (CHEBI:64273) |
| IUPAC Name |
|---|
| (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione |
| Synonym | Source |
|---|---|
| 3''-O-Demethylerythromycin | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C06616 | KEGG COMPOUND |
| CPD-13951 | MetaCyc |
| LMPK04000009 | LIPID MAPS |
| US5476843 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:75000 | Reaxys |
| CAS:1675-02-1 | ChemIDplus |
| Citations |
|---|