Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021928
PROPERTIES
| NPAID | NPA021928 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Chilenopeptin B |
| FORMULA | C78H123N17O19 |
| MOLECULAR WEIGHT (Da) | 1602.9420 |
| ACCURATE MASS (Da) | 1601.9181 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | aff. chalcipori KSH 883 |
| InChIKey | GGJKCRSWXDHWST-SDBIROSVSA-N |
| InChI | InChI=1S/C78H123N17O19/c1-43(2)37-51(58(101)81-48(41-96)39-46-27-22-20-23-28-46)86-66(109)73(8,9)89-60(103)49(32-34-56(79)99)84-67(110)74(10,11)93-69(112)76(14,15)90-61(104)50(33-35-57(80)100)85-68(111)75(12,13)94-70(113)77(16,17)91-62(105)52(38-44(3)4)83-64(107)55-31-26-36-95(55)71(114)78(18,19)92-63(106)53(40-47-29-24-21-25-30-47)82-59(102)54(42-97)87-65(108)72(6,7)88-45(5)98/h20-25,27-30,43-44,48-55,96-97H,26,31-42H2,1-19H3,(H2,79,99)(H2,80,100)(H,81,101)(H,82,102)(H,83,107)(H,84,110)(H,85,111)(H,86,109)(H,87,108)(H,88,98)(H,89,103)(H,90,104)(H,91,105)(H,92,106)(H,93,112)(H,94,113)/t48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 |
| SMILES | CC(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)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 |
