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CHEBI:213785 - Nodulapeptin 851
| Formula | C44H65N7O8S |
| Net Charge | 0 |
| Average Mass | 852.112 |
| Monoisotopic Mass | 851.46153 |
| SMILES | CCC(C)C(NC(=O)NC1CCCCNC(=O)C(CCSC)NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)C)NC1=O)C(=O)O |
| InChI | InChI=1S/C44H65N7O8S/c1-7-29(4)37(43(57)58)50-44(59)48-32-20-14-15-26-45-38(52)33(25-27-60-6)46-40(54)35(24-22-31-18-12-9-13-19-31)51(5)42(56)34(23-21-30-16-10-8-11-17-30)47-41(55)36(28(2)3)49-39(32)53/h8-13,16-19,28-29,32-37H,7,14-15,20-27H2,1-6H3,(H,45,52)(H,46,54)(H,47,55)(H,49,53)(H,57,58)(H2,48,50,59) |
| InChIKey | HZXYJCCVMAKAEX-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 851 (CHEBI:213785) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 3-methyl-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]pentanoic acid |