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CHEBI:213875 - Cyanopeptolin CP1027
| Formula | C53H69N7O14 |
| Net Charge | 0 |
| Average Mass | 1028.170 |
| Monoisotopic Mass | 1027.49025 |
| SMILES | CCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(Cc2ccc(O)cc2)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(CCc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-39(29-44(65)66)48(68)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(25-19-32-15-20-35(61)21-16-32)59(5)52(72)41(28-33-12-10-8-11-13-33)60-43(64)26-24-37(51(60)71)55-47(67)38(56-50(46)70)27-34-17-22-36(62)23-18-34/h8,10-13,15-18,20-23,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,19,24-29H2,1-5H3,(H,54,63)(H,55,67)(H,56,70)(H,57,69)(H,58,68)(H,65,66) |
| InChIKey | SFSUGVXAKPFWSV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostoc edaphicum CCNP1411 (ncbitaxon:1472755) | - | PubMed (29949853) |
| 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 CP1027 (CHEBI:213875) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 4-[[2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-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]-3-(hexanoylamino)-4-oxobutanoic acid |