EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:220987 - Thiazinotrienomycin F
| Formula | C37H47N3O7S |
| Net Charge | 0 |
| Average Mass | 677.864 |
| Monoisotopic Mass | 677.31347 |
| SMILES | COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\CCc2c(O)c(cc3ncsc23)NC(=O)C1 |
| InChI | InChI=1S/C37H47N3O7S/c1-23-14-13-18-28-34(43)29(21-30-35(28)48-22-38-30)40-32(41)20-27(46-4)17-11-6-5-7-12-19-31(24(2)33(23)42)47-37(45)25(3)39-36(44)26-15-9-8-10-16-26/h5-7,11-12,14-15,17,21-22,24-25,27,31,33,42-43H,8-10,13,16,18-20H2,1-4H3,(H,39,44)(H,40,41)/b6-5+,12-7+,17-11?,23-14- |
| InChIKey | CQTQUHGHXIPZMS-BCGPCUKQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (11099221) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiazinotrienomycin F (CHEBI:220987) is a azamacrocycle (CHEBI:52898) |
| Thiazinotrienomycin F (CHEBI:220987) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| [(8E,10E,16Z)-15,27-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-22-thia-2,24-diazatricyclo[18.6.1.021,25]heptacosa-1(27),6,8,10,16,20,23,25-octaen-13-yl] 2-(cyclohexene-1-carbonylamino)propanoate |