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CHEBI:221850 - Nodulapeptin C
| Formula | C44H63N7O11S |
| Net Charge | 0 |
| Average Mass | 898.093 |
| Monoisotopic Mass | 897.43063 |
| 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(CCSC)NC1=O)C(=O)O |
| InChI | InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61) |
| InChIKey | XTDLZZLFKOTTLJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nodulariaspeciesmigena CCY9414 (ncbitaxon:313624) | - | PubMed (20338518) |
| 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 C (CHEBI:221850) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[3-(acetyloxymethyl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-12-(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid |