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CHEBI:198627 - yatakemycin
| Formula | C35H29N5O8S |
| Net Charge | 0 |
| Average Mass | 679.711 |
| Monoisotopic Mass | 679.17368 |
| SMILES | COc1cc2nc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3nc(C(=O)N4CCc6c4c(O)c(OC)c4nc(C(=O)SC)cc64)cc35)cc2cc1O |
| InChI | InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1 |
| InChIKey | CMFSXTISUXTEGX-QXPWRNTLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies TP-A0356 (ncbitaxon:1359208) | - | PubMed (12715869) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| yatakemycin (CHEBI:198627) is a aromatic ether (CHEBI:35618) |
| yatakemycin (CHEBI:198627) is a hydroxyindoles (CHEBI:84729) |
| yatakemycin (CHEBI:198627) is a pyrroloindole (CHEBI:48133) |
| yatakemycin (CHEBI:198627) is a tertiary carboxamide (CHEBI:140326) |
| yatakemycin (CHEBI:198627) is a thioester (CHEBI:51277) |
| Incoming Relation(s) |
| N(3)-yatakemycinyl-2’-deoxyadenosine 5'-monophosphate zwitterion residue (CHEBI:747208) has functional parent yatakemycin (CHEBI:198627) |
| IUPAC Name |
|---|
| S-methyl 5-hydroxy-6-[(3bR,4aS)-6-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-8-oxo-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-2-carbonyl]-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate |
| Synonym | Source |
|---|---|
| (+)-yatakemycin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 9896408 | ChemSpider |
| Citations |
|---|