Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020381
PROPERTIES
| NPAID | NPA020381 |
|---|---|
| CLUSTER ID | 6446 |
| NODE ID | 4458 |
| NAME | Pederin |
| FORMULA | C25H45NO9 |
| MOLECULAR WEIGHT (Da) | 503.6330 |
| ACCURATE MASS (Da) | 503.3094 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | ZNEZZONMADKYTB-VRCUBXEUSA-N |
| InChI | InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1 |
| SMILES | C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]([C@@H]2C[C@H](C([C@H](O2)C[C@@H](COC)OC)(C)C)O)OC)O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Piel. J; Hofer, I; Hui, D Evidence for a Symbiosis Island Involved in Horizontal Acquisition of Pederin Biosynthetic Capabilities by the Bacterial Symbiont of Paederus fuscipes Beetles Journal of Bacteriology 2004 186 (5) 1280-1286. | ||
|---|---|---|---|
| DOI | 10.1128/JB.186.5.1280-1286.2004 | PMID | 14973122 |
SYNTHESES
| CITATION 1 | Jewett JC; Rawal VH Total synthesis of pederin. Angewandte Chemie International Edition 2007 46 (34) 6502-4. DOI: 10.1002/anie.200701677 PMID: 17645272 | ||
|---|---|---|---|
| CITATION 2 | Wu F; Green ME; Floreancig PE Total synthesis of pederin and analogues. Angewandte Chemie International Edition 2011 50 (5) 1131-4. DOI: 10.1002/anie.201006438 PMID: 21268211 | ||
| CITATION 3 | Wan S; Wu F; Rech JC; Green ME; Balachandran R; Horne WS; Day BW; Floreancig PE Total synthesis and biological evaluation of pederin, psymberin, and highly potent analogs. Journal of the American Chemical Society 2011 133 (41) 16668-79. DOI: 10.1021/ja207331m PMID: 21902245 | ||
