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CHEBI:219593 - Saframycin A
| Formula | C29H30N4O8 |
| Net Charge | 0 |
| Average Mass | 562.579 |
| Monoisotopic Mass | 562.20636 |
| SMILES | COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CNC(=O)C(C)=O)N3[C@@H](C#N)[C@H](C2)N1C |
| InChI | InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17-,18-,19-,22-/m0/s1 |
| InChIKey | JNEGMBHBUAJRSX-SHUHUVMISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (591455) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Saframycin A (CHEBI:219593) is a isoquinolines (CHEBI:24922) |
| IUPAC Name |
|---|
| N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide |
| Manual Xrefs | Databases |
|---|---|
| 16738394 | ChemSpider |