Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024843
PROPERTIES
| NPAID | NPA024843 |
|---|---|
| CLUSTER ID | 4941 |
| NODE ID | 3548 |
| NAME | (R)-N1-((S)-5-oxohexan-2-yl)-2-tetradecanamidosuccinamide |
| FORMULA | C24H45N3O4 |
| MOLECULAR WEIGHT (Da) | 439.6410 |
| ACCURATE MASS (Da) | 439.3410 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Escherichia |
| ORIGIN SPECIES | coli IHE3034 |
| InChIKey | OESNGSQKCCZCKI-PZJWPPBQSA-N |
| InChI | InChI=1S/C24H45N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-23(30)27-21(18-22(25)29)24(31)26-19(2)16-17-20(3)28/h19,21H,4-18H2,1-3H3,(H2,25,29)(H,26,31)(H,27,30)/t19-,21+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](C)CCC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vizcaino MI; Engel P; Trautman E; Crawford JM Comparative metabolomics and structural characterizations illuminate colibactin pathway-dependent small molecules. Journal of the American Chemical Society 2014 136 (26) 9244-9247. | ||
|---|---|---|---|
| DOI | 10.1021/ja503450q | PMID | 24932672 |
