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CHEBI:214780 - Cyanopeptolin 920
| Formula | C47H68N8O11 |
| Net Charge | 0 |
| Average Mass | 921.106 |
| Monoisotopic Mass | 920.50075 |
| SMILES | CC(=O)NC(CC(C)C)C(=O)NC1C(=O)NC(CCCCN)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C47H68N8O11/c1-26(2)23-35(49-29(6)56)42(60)53-40-28(5)66-47(65)39(27(3)4)52-43(61)36(24-31-16-18-32(57)19-17-31)54(7)46(64)37(25-30-13-9-8-10-14-30)55-38(58)21-20-34(45(55)63)51-41(59)33(50-44(40)62)15-11-12-22-48/h8-10,13-14,16-19,26-28,33-40,57-58H,11-12,15,20-25,48H2,1-7H3,(H,49,56)(H,50,62)(H,51,59)(H,52,61)(H,53,60) |
| InChIKey | STNXNBABUAJYEA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microcystisspecies (ncbitaxon:1127) | - | PubMed (16678305) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanopeptolin 920 (CHEBI:214780) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 2-acetamido-N-[15-(4-aminobutyl)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-4-methylpentanamide |