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CHEBI:32049 - premithramycin A3'
| Formula | C40H50O18 |
| Net Charge | 0 |
| Average Mass | 818.822 |
| Monoisotopic Mass | 818.29971 |
| SMILES | [H][C@@]12Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]1(O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(=O)C(C(C)=O)=C(O)[C@H]2OC |
| InChI | InChI=1S/C40H50O18/c1-14(41)28-34(47)35(52-6)21-9-19-7-18-8-20(42)10-22(43)29(18)33(46)30(19)38(50)40(21,37(28)49)58-26-12-24(32(45)16(3)54-26)56-25-11-23(31(44)15(2)53-25)57-27-13-39(5,51)36(48)17(4)55-27/h7-8,10,15-17,21,23-27,31-32,35-36,42-48,51H,9,11-13H2,1-6H3/t15-,16-,17-,21+,23-,24-,25+,26+,27+,31+,32-,35+,36-,39+,40-/m1/s1 |
| InChIKey | HEXWXHDQRMEJNB-QGYAIUEGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces argillaceus (ncbitaxon:41951) | - | PubMed (10652287) | Strain: ATCC 12596 |
| Roles Classification |
|---|
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| premithramycin A3' (CHEBI:32049) has role bacterial metabolite (CHEBI:76969) |
| premithramycin A3' (CHEBI:32049) is a aromatic ketone (CHEBI:76224) |
| premithramycin A3' (CHEBI:32049) is a cyclic ketone (CHEBI:3992) |
| premithramycin A3' (CHEBI:32049) is a enol (CHEBI:33823) |
| premithramycin A3' (CHEBI:32049) is a enone (CHEBI:51689) |
| premithramycin A3' (CHEBI:32049) is a ether (CHEBI:25698) |
| premithramycin A3' (CHEBI:32049) is a polyphenol (CHEBI:26195) |
| premithramycin A3' (CHEBI:32049) is a tetracenomycin (CHEBI:48132) |
| premithramycin A3' (CHEBI:32049) is a trisaccharide derivative (CHEBI:63571) |
| IUPAC Name |
|---|
| (1S,4aS,12aS)-3-acetyl-2,6,7,9-tetrahydroxy-1-methoxy-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-β-D-ribo-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-lyxo-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranoside |
| Synonyms | Source |
|---|---|
| 9-demethylpremithramycin A3 | MetaCyc |
| demethylpremithramycin A3 | MetaCyc |
| Citations |
|---|