Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030861
PROPERTIES
| NPAID | NPA030861 |
|---|---|
| CLUSTER ID | 729 |
| NODE ID | 636 |
| NAME | N-(hexadecanoyl)-2-aminobutyric acid methyl ester (C16:0-NABME) |
| FORMULA | C21H41NO3 |
| MOLECULAR WEIGHT (Da) | 355.5630 |
| ACCURATE MASS (Da) | 355.3086 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Roseovarius |
| ORIGIN SPECIES | sp. D12_1.68 |
| InChIKey | MMJNWDXFGZQTMI-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H41NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(5-2)21(24)25-3/h19H,4-18H2,1-3H3,(H,22,23) |
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(CC)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bruns, H; Ziesche, L; Taniwal, NK; Wolter, L; Brinkhoff, T; Herrmann, J; Müller, R; Schulz, S N-Acylated amino acid methyl esters from marine Roseobacter group bacteria. Beilstein Journal of Organic Chemistry 2018 14 2964-2973. | ||
|---|---|---|---|
| DOI | 10.3762/bjoc.14.276 | PMID | 30591820 |
