EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:214797 - Anabaenopeptin 820
| Formula | C41H60N10O8 |
| Net Charge | 0 |
| Average Mass | 820.993 |
| Monoisotopic Mass | 820.45956 |
| SMILES | CC(C)C1NC(=O)C(NC(=O)NC(CCCN=C(N)N)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccccc2)NC1=O |
| InChI | InChI=1S/C41H60N10O8/c1-25(2)33-37(55)46-30(21-20-27-14-7-5-8-15-27)38(56)51(4)26(3)34(52)47-32(24-28-16-9-6-10-17-28)35(53)44-22-12-11-18-29(36(54)50-33)48-41(59)49-31(39(57)58)19-13-23-45-40(42)43/h5-10,14-17,25-26,29-33H,11-13,18-24H2,1-4H3,(H,44,53)(H,46,55)(H,47,52)(H,50,54)(H,57,58)(H4,42,43,45)(H2,48,49,59) |
| InChIKey | OVNYDRLDOUTKRF-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) |
| Anabaenopeptin 820 (CHEBI:214797) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-[[3-benzyl-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid |