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CHEBI:214774 - Cyanopeptolin 1000A
| Formula | C50H80N8O13 |
| Net Charge | 0 |
| Average Mass | 1001.233 |
| Monoisotopic Mass | 1000.58448 |
| SMILES | CCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(CCCCN)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)OC1C |
| InChI | InChI=1S/C50H80N8O13/c1-8-10-11-12-13-17-39(60)52-35(23-25-41(62)63)45(65)56-43-31(6)71-50(70)42(30(5)9-2)55-46(66)37(28-32-18-20-33(59)21-19-32)57(7)49(69)38(27-29(3)4)58-40(61)24-22-36(48(58)68)54-44(64)34(53-47(43)67)16-14-15-26-51/h18-21,29-31,34-38,40,42-43,59,61H,8-17,22-28,51H2,1-7H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63) |
| InChIKey | DNLVCEDLSFGAHN-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 1000A (CHEBI:214774) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 5-[[15-(4-aminobutyl)-8-butan-2-yl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(octanoylamino)-5-oxopentanoic acid |