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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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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 |
|---|