Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022536
PROPERTIES
| NPAID | NPA022536 |
|---|---|
| CLUSTER ID | 6937 |
| NODE ID | 1287 |
| NAME | (Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester |
| FORMULA | C20H35NO5 |
| MOLECULAR WEIGHT (Da) | 369.5020 |
| ACCURATE MASS (Da) | 369.2515 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Roseovarius |
| ORIGIN SPECIES | tolerans EL-164 |
| InChIKey | JHECJXSLIKXCBD-AATOQMJSSA-N |
| InChI | InChI=1S/C20H35NO5/c1-17(20(25)26-2)21-18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h4,6,17H,3,5,7-16H2,1-2H3,(H,21,22)(H,23,24)/b6-4-/t17-/m0/s1 |
| SMILES | C[C@@H](C(=O)OC)NC(=O)CCCCCCC/C=C\CCCCCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bruns, Hilke; Herrmann, Jennifer; Müller, Rolf; Wang, Hui; Wagner Döbler, Irene; Schulz, Stefan Oxygenated N-Acyl Alanine Methyl Esters (NAMEs) from the Marine Bacterium Roseovarius tolerans EL-164 Journal of Natural Products 2018 81 (1) 131-139. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00757 | PMID | 29261310 |
