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CHEBI:213756 - Nodulapeptin 863
| Formula | C45H65N7O10 |
| Net Charge | 0 |
| Average Mass | 864.054 |
| Monoisotopic Mass | 863.47929 |
| SMILES | CCC(C)C(NC(=O)NC1CCCCNC(=O)C(COC(C)=O)NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)CC)NC1=O)C(=O)O |
| InChI | InChI=1S/C45H65N7O10/c1-7-28(3)37-42(57)47-34(24-22-31-17-11-9-12-18-31)43(58)52(6)36(25-23-32-19-13-10-14-20-32)41(56)48-35(27-62-30(5)53)39(54)46-26-16-15-21-33(40(55)50-37)49-45(61)51-38(44(59)60)29(4)8-2/h9-14,17-20,28-29,33-38H,7-8,15-16,21-27H2,1-6H3,(H,46,54)(H,47,57)(H,48,56)(H,50,55)(H,59,60)(H2,49,51,61) |
| InChIKey | JWTLSWXNBWLNPD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nodulariaspeciesmigena (ncbitaxon:70799) | - | PubMed (27834904) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nodulapeptin 863 (CHEBI:213756) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[3-(acetyloxymethyl)-12-butan-2-yl-7-methyl-2,5,8,11,14-pentaoxo-6,9-bis(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid |