Table 1 The HPLC-PDA, chemical formula, HR-QTOF ESI/MS, UV maxima and conversion product analyses of umbelliferone in in vitro reaction using CYP450 BM3 and its variant proteins M13, YjiC and SaOMT2
From: Synthesis of umbelliferone derivatives in Escherichia coli and their biological activities
Name | HPLC (t R ) min | Chemical formula | Calculated mass [M + H]+ m/z +~ | Exact mass [M + H]+ m/z +~ | UV maxima (nm) | % Conversion | |
|---|---|---|---|---|---|---|---|
Substrate | Umbelliferone | 13.749 | C9H6O3 | 163.0395 | 163.0394 | 327 | Â |
Products | Hydroxylated (P1) by P450 BM3 | 12.730 | C9H6O4 | 179.0344 | 179.0390 | 325 | 8.09 |
Hydroxylated (P1) by M13 | C9H6O4 | 35.48 | |||||
Glycosylated (P2) | 10.323 | C15H16O8 | 325.0923 | 325.0912 | 317 | 86.45 | |
Methylated (P3) | 16.381 | C10H8O3 | 177.0344 | 177.0547 | 321 | 2.08 | |