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CHEBI:221975 - Nodulapeptin 879
| Formula | C45H65N7O11 |
| Net Charge | 0 |
| Average Mass | 880.053 |
| Monoisotopic Mass | 879.47421 |
| SMILES | CCC(C)C(NC(=O)NC1CCCCNC(=O)C(COC(C)=O)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)CC)NC1=O)C(=O)O |
| InChI | InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62) |
| InChIKey | LTVNLDSXISIYIL-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 879 (CHEBI:221975) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[3-(acetyloxymethyl)-12-butan-2-yl-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid |