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CHEBI:221982 - Nodulapeptin 883a
| Formula | C44H65N7O8S2 |
| Net Charge | 0 |
| Average Mass | 884.179 |
| Monoisotopic Mass | 883.43360 |
| SMILES | CCC(C)C(NC(=O)NC1CCCCNC(=O)C(CCSC)NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(CCSC)NC1=O)C(=O)O |
| InChI | InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59) |
| InChIKey | XVMDQBMZIUJUKI-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 883a (CHEBI:221982) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 3-methyl-2-[[7-methyl-3,12-bis(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-6,9-bis(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid |