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CHEBI:221968 - Nodulapeptin 881b
| Formula | C45H67N7O9S |
| Net Charge | 0 |
| Average Mass | 882.138 |
| Monoisotopic Mass | 881.47210 |
| SMILES | CCC(C)C(NC(=O)NC1CCCCNC(=O)C(CCSC)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/C45H67N7O9S/c1-7-28(3)37-42(57)48-35(23-19-30-14-10-9-11-15-30)43(58)52(5)36(24-20-31-17-21-32(53)22-18-31)41(56)47-34(25-27-62-6)39(54)46-26-13-12-16-33(40(55)50-37)49-45(61)51-38(44(59)60)29(4)8-2/h9-11,14-15,17-18,21-22,28-29,33-38,53H,7-8,12-13,16,19-20,23-27H2,1-6H3,(H,46,54)(H,47,56)(H,48,57)(H,50,55)(H,59,60)(H2,49,51,61) |
| InChIKey | YNLGZOMVPIVMEJ-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 881b (CHEBI:221968) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[12-butan-2-yl-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3-(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid |