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CHEBI:71987 - curamycin A
| Formula | C59H84Cl2O32 |
| Net Charge | 0 |
| Average Mass | 1376.195 |
| Monoisotopic Mass | 1374.43228 |
| SMILES | [H][C@@]12O[C@]3(O[C@H](C)[C@@](O)(C(C)=O)[C@@H]4OCO[C@H]43)O[C@@]1([H])CO[C@@H](O[C@@H]1O[C@H](COC)[C@@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O[C@H]4C[C@@]5(C)O[C@@]6(C[C@@H](O)[C@H](O[C@H]7C[C@@H](O)[C@H](OC(=O)c8c(C)c(Cl)c(O)c(Cl)c8OC)[C@@H](C)O7)[C@@H](C)O6)O[C@]5([H])[C@@H](C)O4)[C@H]3O)[C@H](O)[C@@H]1OC)[C@@H]2OC(C)=O |
| InChI | InChI=1S/C59H84Cl2O32/c1-20-34(45(73-12)36(61)37(66)35(20)60)52(69)85-40-21(2)78-32(14-28(40)64)83-41-23(4)88-57(15-29(41)65)92-49-24(5)79-33(16-56(49,9)93-57)84-46-39(68)53(80-22(3)42(46)72-11)86-43-30(17-71-10)82-55(47(74-13)38(43)67)87-54-48(81-27(8)63)44-31(18-75-54)90-59(91-44)51-50(76-19-77-51)58(70,25(6)62)26(7)89-59/h21-24,26,28-33,38-44,46-51,53-55,64-68,70H,14-19H2,1-13H3/t21-,22-,23-,24-,26-,28-,29-,30-,31+,32+,33+,38+,39-,40-,41-,42+,43-,44-,46-,47+,48-,49-,50-,51-,53+,54+,55+,56-,57-,58+,59-/m1/s1 |
| InChIKey | VVIAOPGTVSECTI-QPNFVAJLSA-N |
| Roles Classification |
|---|
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| curamycin A (CHEBI:71987) has role antimicrobial agent (CHEBI:33281) |
| curamycin A (CHEBI:71987) has role bacterial metabolite (CHEBI:76969) |
| curamycin A (CHEBI:71987) is a acetate ester (CHEBI:47622) |
| curamycin A (CHEBI:71987) is a cyclic acetal (CHEBI:59770) |
| curamycin A (CHEBI:71987) is a glycoside (CHEBI:24400) |
| curamycin A (CHEBI:71987) is a methyl ketone (CHEBI:51867) |
| curamycin A (CHEBI:71987) is a organochlorine compound (CHEBI:36683) |
| curamycin A (CHEBI:71987) is a ortho ester (CHEBI:71989) |
| curamycin A (CHEBI:71987) is a phenols (CHEBI:33853) |
| curamycin A (CHEBI:71987) is a polyketide (CHEBI:26188) |
| curamycin A (CHEBI:71987) is a polysaccharide derivative (CHEBI:65212) |
| curamycin A (CHEBI:71987) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| IUPAC Name |
|---|
| (2R,3S,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-{[(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7-acetoxy-7'-acetyl-7'-hydroxy-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4'-hydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate |
| Synonyms | Source |
|---|---|
| O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1-3-4)-2-O-acetyl-α-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1-3-4)-O-2,6-dideoxy-3-C-methyl-β-D-arabino-hexopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-β-D-mannopyranoside | ChemIDplus |
| UNII-09Q4B44I8C | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6495698 | Reaxys |
| CAS:73240-30-9 | ChemIDplus |
| Citations |
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