Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012682
PROPERTIES
| NPAID | NPA012682 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Pseudacyclin E |
| FORMULA | C37H57N7O7 |
| MOLECULAR WEIGHT (Da) | 711.9050 |
| ACCURATE MASS (Da) | 711.4319 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pseudallescheria |
| ORIGIN SPECIES | boydii |
| InChIKey | KGWMDHGTMDDFCU-WAVVYUKHSA-N |
| InChI | InChI=1S/C37H57N7O7/c1-8-23(6)31-36(50)42-29(21(2)3)34(48)38-18-12-16-26(40-35(49)30(22(4)5)39-24(7)45)32(46)41-27(20-25-14-10-9-11-15-25)37(51)44-19-13-17-28(44)33(47)43-31/h9-11,14-15,21-23,26-31H,8,12-13,16-20H2,1-7H3,(H,38,48)(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,43,47)/t23-,26-,27+,28-,29-,30-,31-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pavlaskova, Katerina; Nedved, Jan; Kuzma, Marek; Zabka, Martin; Sulc, Miroslav; Sklenar, Jan; Novak, Petr; Benada, Oldrich; Kofronova, Olga; Hajduch, Marian; Derrick, Peter J.; Lemr, Karel; Jegorov, Alexandr; Havlicek, Vladimir Characterization of pseudacyclins A-E, a suite of cyclic peptides produced by Pseudallescheria boydii Journal of Natural Products 2010 73 (6) 1027-1032. | ||
|---|---|---|---|
| DOI | 10.1021/np900472c | PMID | 20509707 |
