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CHEBI:222940 - Thiazinotrienomycin D
| Formula | C38H49N3O8S |
| Net Charge | 0 |
| Average Mass | 707.890 |
| Monoisotopic Mass | 707.32404 |
| 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(cc3c2SCC(=O)N3)NC(=O)C1 |
| InChI | InChI=1S/C38H49N3O8S/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/h5-7,11-12,14-15,17,21,24-25,27,31,34,44-45H,8-10,13,16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5+,12-7+,17-11?,23-14- |
| InChIKey | NVTIRGZIENXFCP-BCGPCUKQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (7622432) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiazinotrienomycin D (CHEBI:222940) is a N-acyl-amino acid (CHEBI:51569) |
| 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-(cyclohexene-1-carbonylamino)propanoate |