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CHEBI:68236 - platensimycin
| Formula | C24H27NO7 |
| Net Charge | 0 |
| Average Mass | 441.480 |
| Monoisotopic Mass | 441.17875 |
| SMILES | [H][C@]12C[C@@H]3O[C@@]1(C)C[C@]1(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@]31[H])C2 |
| InChI | InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1 |
| InChIKey | CSOMAHTTWTVBFL-OFBLZTNGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces platensis (ncbitaxon:58346) | - | PubMed (21214253) | Strain: MA7327 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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. EC 2.3.1.85 (fatty acid synthase) inhibitor An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of fatty acid synthase (EC 2.3.1.85), a multi-enzyme protein involved in fatty acid synthesis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| platensimycin (CHEBI:68236) has role antibacterial agent (CHEBI:33282) |
| platensimycin (CHEBI:68236) has role antimicrobial agent (CHEBI:33281) |
| platensimycin (CHEBI:68236) has role bacterial metabolite (CHEBI:76969) |
| platensimycin (CHEBI:68236) has role EC 2.3.1.85 (fatty acid synthase) inhibitor (CHEBI:71476) |
| platensimycin (CHEBI:68236) is a aromatic amide (CHEBI:62733) |
| platensimycin (CHEBI:68236) is a cyclic ether (CHEBI:37407) |
| platensimycin (CHEBI:68236) is a cyclic ketone (CHEBI:3992) |
| platensimycin (CHEBI:68236) is a dihydroxybenzoic acid (CHEBI:23778) |
| platensimycin (CHEBI:68236) is a monocarboxylic acid amide (CHEBI:29347) |
| platensimycin (CHEBI:68236) is a polycyclic cage (CHEBI:33640) |
| platensimycin (CHEBI:68236) is conjugate acid of platensimycin(1−) (CHEBI:178082) |
| Incoming Relation(s) |
| platensimycin A1 (CHEBI:68242) has functional parent platensimycin (CHEBI:68236) |
| platensimycin A2 methyl ester (CHEBI:68261) has functional parent platensimycin (CHEBI:68236) |
| platensimycin A3 methyl ester (CHEBI:68262) has functional parent platensimycin (CHEBI:68236) |
| platensimycin A4 methyl ester (CHEBI:68263) has functional parent platensimycin (CHEBI:68236) |
| platensimycin A5 methyl ester (CHEBI:68264) has functional parent platensimycin (CHEBI:68236) |
| platensimycin B2 (CHEBI:68244) has functional parent platensimycin (CHEBI:68236) |
| platensimycin B3 (CHEBI:68245) has functional parent platensimycin (CHEBI:68236) |
| platensimycin B4 (CHEBI:68239) has functional parent platensimycin (CHEBI:68236) |
| platensimycin B1 (CHEBI:68238) has functional parent platensimycin (CHEBI:68236) |
| platensimycin methyl ester (CHEBI:68237) has functional parent platensimycin (CHEBI:68236) |
| platensimycin(1−) (CHEBI:178082) is conjugate base of platensimycin (CHEBI:68236) |
| IUPAC Name |
|---|
| 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid |
| Synonyms | Source |
|---|---|
| (−)-platensimycin | KEGG COMPOUND |
| 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-Hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 5257055 | ChemSpider |
| C20132 | KEGG COMPOUND |
| PMN | PDBeChem |
| US2009081673 | Patent |
| CA2770486 | Patent |
| Platensimycin | Wikipedia |
| DB08407 | DrugBank |
| C00048823 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10740321 | Reaxys |
| CAS:835876-32-9 | KEGG COMPOUND |
| CAS:835876-32-9 | ChemIDplus |
| Citations |
|---|