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CHEBI:205770 - Coralmycin A
| Formula | C46H45N7O15 |
| Net Charge | 0 |
| Average Mass | 935.900 |
| Monoisotopic Mass | 935.29736 |
| SMILES | CO[C@@H](C(N)=O)[C@H](NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3OC(C)C)c(O)c2OC(C)C)cc1 |
| InChI | InChI=1S/C46H45N7O15/c1-22(2)67-37-32(20-18-30(35(37)54)44(60)51-33-21-19-31(46(62)63)36(55)38(33)68-23(3)4)50-42(58)24-6-14-28(15-7-24)49-45(61)34(39(66-5)40(47)56)52-43(59)25-8-12-27(13-9-25)48-41(57)26-10-16-29(17-11-26)53(64)65/h6-23,34,39,54-55H,1-5H3,(H2,47,56)(H,48,57)(H,49,61)(H,50,58)(H,51,60)(H,52,59)(H,62,63)/t34-,39+/m0/s1 |
| InChIKey | QUGQHCSHBGAXCK-AWLITPKASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Corallococcus (ncbitaxon:83461) | - | PubMed (27598688) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Coralmycin A (CHEBI:205770) is a benzamides (CHEBI:22702) |
| IUPAC Name |
|---|
| 3-[[4-[[4-[[(2S,3R)-4-azaniumyl-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-6-carboxy-2-propan-2-yloxyphenolate |
| Manual Xrefs | Databases |
|---|---|
| 76771543 | ChemSpider |