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CHEBI:32279 - urdamycin A
| Formula | C43H56O17 |
| Net Charge | 0 |
| Average Mass | 844.904 |
| Monoisotopic Mass | 844.35175 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O[C@H]5CC[C@H](O)[C@H](C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1 |
| InChI | InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1 |
| InChIKey | FJSYXNOFZQFOAN-FXPMUEKOSA-N |
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| urdamycin A (CHEBI:32279) has role antineoplastic agent (CHEBI:35610) |
| urdamycin A (CHEBI:32279) is a angucycline antibiotic (CHEBI:70737) |
| IUPAC Name |
|---|
| (1R)-1,5-anhydro-2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-1-[(3R,4aR,12bS)-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrobenzo[a]anthracen-9-yl]-D-arabino-hexitol |
| Synonyms | Source |
|---|---|
| Urdamycin A | KEGG COMPOUND |
| Kerriamycin B | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3584862 | Beilstein |
| CAS:98474-21-6 | ChemIDplus |
| Citations |
|---|