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CHEBI:220742 - Cyanopeptolin 911
| Formula | C39H61N9O14S |
| Net Charge | 0 |
| Average Mass | 912.033 |
| Monoisotopic Mass | 911.40587 |
| SMILES | CC(C)CC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC(C)C(NC(=O)C(O)COS(=O)(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N1C2=O |
| InChI | InChI=1S/C39H61N9O14S/c1-20(2)17-27-37(56)47(6)26(18-23-11-8-7-9-12-23)33(52)45-30(21(3)4)38(57)62-22(5)31(46-34(53)28(49)19-61-63(58,59)60)35(54)43-24(13-10-16-42-39(40)41)32(51)44-25-14-15-29(50)48(27)36(25)55/h7-9,11-12,20-22,24-31,49-50H,10,13-19H2,1-6H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H4,40,41,42)(H,58,59,60) |
| InChIKey | VEXSXZZUUJNXII-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 911 (CHEBI:220742) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| [3-[[5-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-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]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate |