Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010385
PROPERTIES
| NPAID | NPA010385 |
|---|---|
| CLUSTER ID | 1100 |
| NODE ID | 947 |
| NAME | Pseudotrienic acid B |
| FORMULA | C29H46N2O6 |
| MOLECULAR WEIGHT (Da) | 518.6950 |
| ACCURATE MASS (Da) | 518.3356 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. MF381-IODS |
| InChIKey | KUBFEPFJIGSSKC-DXIDGMHMSA-N |
| InChI | InChI=1S/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25?,26-/m0/s1 |
| SMILES | CCCCCCCC(/C=C/C(=C/CC(=O)NC[C@@H]([C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O)O)/C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pohanka, Anton; Broberg, Anders; Johansson, Maria; Kenne, Lennart; Levenfors, Jolanta Pseudotrienic acids A and B, two bioactive metabolites from Pseudomonas sp. MF381-IODS Journal of Natural Products 2005 68 (9) 1380-1385. | ||
|---|---|---|---|
| DOI | 10.1021/np050243a | PMID | 16180818 |
SYNTHESES
| CITATION 1 | Amans D; Bellosta V; Cossy J Total synthesis of pseudotrienic acid B: a bioactive metabolite from Pseudomonas sp. MF 381-IODS. Angewandte Chemie International Edition 2006 45 (35) 5870-5874. DOI: 10.1002/anie.200601114 PMID: 16881023 | ||
|---|---|---|---|
