Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000427301 | Gold | Pedein&A |
COMPOUND NPA016223
PROPERTIES
| NPAID | NPA016223 |
|---|---|
| CLUSTER ID | 3763 |
| NODE ID | 2825 |
| NAME | Pedein A |
| FORMULA | C43H53ClN8O13 |
| MOLECULAR WEIGHT (Da) | 925.3930 |
| ACCURATE MASS (Da) | 924.3421 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chondromyces |
| ORIGIN SPECIES | pediculatus |
| InChIKey | KOTACARTLSNDDK-SJTJEGOMSA-N |
| InChI | InChI=1S/C43H53ClN8O13/c1-52-22-33(57)48-29(15-24-19-45-28-16-25(44)13-14-27(24)28)40(61)47-21-32(56)46-20-26(53)17-31(55)49-35(36(59)30(54)12-8-4-7-11-23-9-5-3-6-10-23)37(60)41(62)50-39-38(65-2)42(63)51-43(39,64)18-34(52)58/h3-11,13-14,16,19,26,29-30,35-39,45,53-54,59-60,64H,12,15,17-18,20-22H2,1-2H3,(H,46,56)(H,47,61)(H,48,57)(H,49,55)(H,50,62)(H,51,63)/b8-4+,11-7+/t26-,29+,30-,35+,36+,37-,38+,39-,43-/m0/s1 |
| SMILES | CN1CC(=O)N[C@@H](C(=O)NCC(=O)NC[C@H](CC(=O)N[C@@H]([C@@H](C(=O)N[C@H]2[C@H](C(=O)N[C@@]2(CC1=O)O)OC)O)[C@@H]([C@H](C/C=C/C=C/C3=CC=CC=C3)O)O)O)CC4=CNC5=C4C=CC(=C5)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kunze, Brigitte; Böhlendorf, Bettina; Reichenbach, Hans; Höfle, Gerhard Pedein A and B: production, isolation, structure elucidation and biological properties of new antifungal cyclopeptides from Chondromyces pediculatus (Myxobacteria) Journal of Antibiotics 2008 61 (1) 18. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.104 | PMID | 18305355 |
