Table 1:
Selected features involved in pathways enriched in butadiene exposed mice
| Category | Pathway(s) | Metabolitea | Wilcoxon Pb | Fold-changec | Identity Score |
|---|---|---|---|---|---|
| Energy metabolism | TCA cycle | citrate/isocitrate | 6.21E-16 | 3.0 | 1 |
| α-ketoglutarate | 2.15E-18 | 3.8 | 1 | ||
| fumarate | 2.80E-16 | 2.0 | 1 | ||
| malate | 2.56E-15 | 2.1 | 1 | ||
| Multiple pathways | glutamate | 1.02E-16 | 2.3 | 1 | |
| Glycolysis | fructose 1,6-bisphosphate | 4.48E-16 | 2.1 | 1 | |
| glyceraldehyde −3-phosphate/DHAP | 6.84E-08 | 1.6 | 1 | ||
| 1,3-bisphosphoglycerate | 4.35E-15 | 5.9 | 3 | ||
| 2- or 3- phosphoglycerate | 1.43E-09 | 2.3 | 1 | ||
| phosphoenolpyruvate | 6.66E-14 | 4.9 | 1 | ||
| Multiple pathways | pyruvate | 1.66E-14 | 1.7 | 1 | |
| Pentose glucuronate interconversion | xylose; ribose | 5.43E-05 | 1.5 | 1 | |
| ribose phosphate/ribulose phosphate | 2.03E-13 | 2.6 | 1 | ||
| Energy (multiple) | UMP | 2.75E-16 | 4.1 | 1 | |
| ADP | 1.56E-18 | 9.4 | 1 | ||
| GDP | 1.34E-16 | 5.9 | 1 | ||
| CoA | 1.66E-14 | 4.3 | 1 | ||
| Lipid metabolism | Glycosphingolipid (multiple) | galactosylceramidesulfate | 1.43E-11 | 2.6 | 4 |
| phosphoethanolamine | 2.99E-18 | 3.8 | 1 | ||
| sphingosine | 1.41E-15 | −2.4 | 1 | ||
| sphinganine | 2.99E-04 | −1.9 | 1 | ||
| Omega-3 fatty acid | stearidonic acid | 2.24E-18 | −5.3 | 3 | |
| 9(S)-HPOT | 2.17E-13 | −2.3 | 3 | ||
| Linoleate | linolenic acid | 9.88E-13 | −2.6 | 1 | |
| Fatty acid | oleic acid | 3.18E-17 | −5.5 | 1 | |
| palmitic acid | 8.99E-19 | −8.3 | 1 | ||
| stearic acid | 2.08E-05 | −1.8 | 1 | ||
| arachidonic acid | 3.29E-16 | −5.9 | 1 | ||
| docosahexaenoic acid | 3.18E-17 | −5.8 | 1 | ||
| eicosapentaenoic acid | 1.59E-12 | −4.7 | 1 | ||
| Fatty acid oxidation, peroxisomes | palmitoyl-CoAd | 5.37E-23 | 31.4 | 1 | |
| stearoyl-CoAd | 3.94E-22 | 16.4 | 3 | ||
| Steroid hormone metabolism | C21-steroid hormone; Androgen/estrogen | estradiol | 3.52E-16 | −3.7 | 1 |
| testosterone | 7.92E-06 | −1.5 | 3 | ||
| androsterone | 7.92E-06 | −1.5 | 3 | ||
| C21-steroid hormone | hydroxycholesterole | 1.10E-10 | −3.5 | 1 | |
| cholesterole | 1.09E-18 | −5.1 | 1 | ||
| Complex carbohydrate metabolism | Multiple pathways | CMP-N-Acetylneuraminate | 1.42E-18 | 4.9 | 3 |
| UDP-glucose | 3.69E-18 | 4.1 | 3 | ||
| N-Glycan biosynthesis | GDP-fucose | 1.61E-16 | 3.2 | 3 | |
| Nucleic acid metabolism | Pyrimidine | cytosine | 1.22E-07 | −1.9 | 1 |
| dihydrouracil | 6.99E-13 | −2.1 | 4 | ||
| dihydrothymine | 8.57E-07 | −5.3 | 4 | ||
| Basic amino acid metabolism | Histidine | histidine | 8.7E-03 | 1.2 | 1 |
| imidazole acetaldehyde | 8.62E-09 | −1.7 | 4 | ||
| methylimidazole acetaldehyde | 1.35E-11 | −2.1 | 4 | ||
| acetyl-lysine | 6.00E-05 | −1.1 | 4 | ||
| Lysine | dimethyllysine | 1.22E-15 | 4.7 | 4 | |
| trimethyllysine | 1.61E-17 | 2.8 | 1 |
a
All adducts are [M+H]+ or [M-H]− unless noted
b
2ppm vs Control, FDR adjusted
c
Fold change was determined in 2ppm BD-exposed vs Control mice;
positive: higher in exposed mice
negative: lower in exposed mice
d
[M-2H]2−
e
[M-H20+H]+