EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:199914 - Thiazinotrienomycin E
| Formula | C38H51N3O8S |
| Net Charge | 0 |
| Average Mass | 709.906 |
| Monoisotopic Mass | 709.33969 |
| SMILES | COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 |
| InChI | InChI=1S/C38H51N3O8S/c1-23-14-13-18-28-35(45)29(21-30-36(28)50-22-33(43)41-30)40-32(42)20-27(48-4)17-11-6-5-7-12-19-31(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14,17,21,24-27,31,34,44-45H,8-10,13,15-16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5+,12-7+,17-11?,23-14- |
| InChIKey | FZQITFWYBUDNRH-BCGPCUKQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (7622432) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiazinotrienomycin E (CHEBI:199914) is a azamacrocycle (CHEBI:52898) |
| Thiazinotrienomycin E (CHEBI:199914) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| [(8E,10E,16Z)-15,28-dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),6,8,10,16,20(28),21(26)-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate |