Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030862
PROPERTIES
| NPAID | NPA030862 |
|---|---|
| CLUSTER ID | 729 |
| NODE ID | 636 |
| NAME | N-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME) |
| FORMULA | C21H39NO3 |
| MOLECULAR WEIGHT (Da) | 353.5470 |
| ACCURATE MASS (Da) | 353.2930 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Roseovarius |
| ORIGIN SPECIES | sp. D12_1.68 |
| InChIKey | YRYSGQMHUIAXPV-KHPPLWFESA-N |
| InChI | InChI=1S/C21H39NO3/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/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10- |
| SMILES | CCCCCC/C=C\CCCCCCCC(=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 |
