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CHEBI:214785 - Cyanopeptolin 959
| Formula | C43H61N9O14S |
| Net Charge | 0 |
| Average Mass | 960.077 |
| Monoisotopic Mass | 959.40587 |
| SMILES | CCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(Cc2ccccc2)N2C(=O)C(CCC2O)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(O)COS(=O)(=O)O)C(C)OC1=O |
| InChI | InChI=1S/C43H61N9O14S/c1-5-24(2)34-42(61)66-25(3)35(50-38(57)32(53)23-65-67(62,63)64)39(58)47-28(17-12-20-46-43(44)45)36(55)48-29-18-19-33(54)52(40(29)59)31(22-27-15-10-7-11-16-27)41(60)51(4)30(37(56)49-34)21-26-13-8-6-9-14-26/h6-11,13-16,24-25,28-35,53-54H,5,12,17-23H2,1-4H3,(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H4,44,45,46)(H,62,63,64) |
| InChIKey | JAQFKPSIKFQVIW-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 959 (CHEBI:214785) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| [3-[[2,5-dibenzyl-8-butan-2-yl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate |