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CHEBI:221961 - Nodulapeptin 883b
| Formula | C47H61N7O10 |
| Net Charge | 0 |
| Average Mass | 884.044 |
| Monoisotopic Mass | 883.44799 |
| SMILES | CC(=O)OCC1NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC1=O |
| InChI | InChI=1S/C47H61N7O10/c1-30(2)40-44(59)49-36(25-23-32-16-8-5-9-17-32)45(60)54(4)39(26-24-33-18-10-6-11-19-33)43(58)50-38(29-64-31(3)55)41(56)48-27-15-14-22-35(42(57)53-40)51-47(63)52-37(46(61)62)28-34-20-12-7-13-21-34/h5-13,16-21,30,35-40H,14-15,22-29H2,1-4H3,(H,48,56)(H,49,59)(H,50,58)(H,53,57)(H,61,62)(H2,51,52,63) |
| InChIKey | BTMJOARYLYFBPG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nodulariaspeciesmigena (ncbitaxon:70799) | - | PubMed (23344154) |
| 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 883b (CHEBI:221961) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[3-(acetyloxymethyl)-7-methyl-2,5,8,11,14-pentaoxo-6,9-bis(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid |