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CHEBI:220730 - Cyanopeptolin 986
| Formula | C47H74N10O13 |
| Net Charge | 0 |
| Average Mass | 987.166 |
| Monoisotopic Mass | 986.54368 |
| SMILES | CCCCCC(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C47H74N10O13/c1-8-9-10-13-35(59)51-31(19-21-37(61)62)41(64)55-39-27(6)70-46(69)38(26(4)5)54-42(65)33(24-28-14-16-29(58)17-15-28)56(7)45(68)34(23-25(2)3)57-36(60)20-18-32(44(57)67)53-40(63)30(52-43(39)66)12-11-22-50-47(48)49/h14-17,25-27,30-34,36,38-39,58,60H,8-13,18-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50) |
| InChIKey | IJAPBAZLQXFSLT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microcystisspecies (ncbitaxon:1127) | - | PubMed (16343324) |
| 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 986 (CHEBI:220730) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-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]-4-(hexanoylamino)-5-oxopentanoic acid |