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CHEBI:213749 - Nodulapeptin 885
| Formula | C47H63N7O8S |
| Net Charge | 0 |
| Average Mass | 886.129 |
| Monoisotopic Mass | 885.44588 |
| SMILES | CSCCC1NC(=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/C47H63N7O8S/c1-31(2)40-44(58)50-37(25-23-32-16-8-5-9-17-32)45(59)54(3)39(26-24-33-18-10-6-11-19-33)43(57)49-36(27-29-63-4)41(55)48-28-15-14-22-35(42(56)53-40)51-47(62)52-38(46(60)61)30-34-20-12-7-13-21-34/h5-13,16-21,31,35-40H,14-15,22-30H2,1-4H3,(H,48,55)(H,49,57)(H,50,58)(H,53,56)(H,60,61)(H2,51,52,62) |
| InChIKey | VACYSUXYVYRUHZ-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 885 (CHEBI:213749) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[7-methyl-3-(2-methylsulanylethyl)-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 |