Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021927
PROPERTIES
| NPAID | NPA021927 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Chilenopeptin A |
| FORMULA | C80H124N18O19 |
| MOLECULAR WEIGHT (Da) | 1641.9790 |
| ACCURATE MASS (Da) | 1640.9290 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | aff. chalcipori KSH 883 |
| InChIKey | TUSWWJFRALTCTP-SLHOBPQGSA-N |
| InChI | InChI=1S/C80H124N18O19/c1-43(2)36-53(60(104)84-48(41-99)38-46-26-21-20-22-27-46)89-68(112)75(8,9)92-62(106)51(31-33-58(81)102)87-69(113)76(10,11)96-71(115)78(14,15)93-63(107)52(32-34-59(82)103)88-70(114)77(12,13)97-72(116)79(16,17)94-64(108)54(37-44(3)4)86-66(110)57-30-25-35-98(57)73(117)80(18,19)95-65(109)55(39-47-40-83-50-29-24-23-28-49(47)50)85-61(105)56(42-100)90-67(111)74(6,7)91-45(5)101/h20-24,26-29,40,43-44,48,51-57,83,99-100H,25,30-39,41-42H2,1-19H3,(H2,81,102)(H2,82,103)(H,84,104)(H,85,105)(H,86,110)(H,87,113)(H,88,114)(H,89,112)(H,90,111)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,115)(H,97,116)/t48-,51-,52-,53-,54-,55-,56-,57-/m0/s1 |
| SMILES | CC(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc1ccccc1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Otto, Alexander; Laub, Annegret; Wendt, Lucile; Porzel, Andrea; Schmidt, Jürgen; Palfner, Götz; Becerra, Jos; Krüger, Dirk; Stadler, Marc; Wessjohann, Ludger; Westermann, Bernhard; Arnold, Norbert Chilenopeptins A and B, Peptaibols from the Chilean Sepedonium aff. chalcipori KSH 883 Journal of Natural Products 2016 79 (4) 929-938. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.5b01018 | PMID | 26953507 |
