Table A2.
Metabolites driving the separation of 1H NMR metabolomic profiles among moose winter diet types determined by multivariate and univariate analyses
| Metabolite | Chemical shift (ppm) | Pathway | Superpathway |
|---|---|---|---|
| Formate | 8.46 | Gut microbiota | |
| Inosine/Adenosine | 8.32, 8.22, 6.09 | Purine metabolism, (hypo)xanthine/ inosine containing | Nucleotide |
| Hypoxanthine | 8.19 | Purine metabolism, (hypo)xanthine/ inosine containing | Nucleotide |
| Histidine | 7.77, 7.06 | Histidine metabolism | Amino acid |
| 1‐Methylhistidine | 7.60, 6.99, 4.04, 3.68 | Histidine metabolism | Amino acid |
| Phenylalanine | 7.38 | Phenylalanine & tyrosine metabolism | Amino acid |
| Tyrosine | 7.20, 6.90 | Phenylalanine & tyrosine metabolism | Amino acid |
| Fumarate | 6.52 | Krebs cycle | Energy |
| Acetylcarnitine | 5.63 | Fatty Acid Metabolism (Acyl Carnitine) | Lipid |
| Lipids –CH = CH‐ | 5.31 | Fatty Acid Metabolism | Lipid |
| α‐Glucose | 5.24, 3.81, 3.47, 3.26 | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | Carbohydrate |
| Mannose | 5.19, 3.95 | Fructose, Mannose and Galactose Metabolism | Carbohydrate |
| Glycerophosphocholine | 4.32, 3.95, 3.66, 3.21 | Glycerolipid metabolism | Lipid |
| Threonine | 4.24 | Glycine, Serine, and Threonine Metabolism | Amino acid |
| Pyroglutamate (5‐oxoproline) | 4.19, 2.50, 2.40 | Glutathione metabolism | Amino acid |
| Proline | 4.16, 3.33, 3.32, 3.31, 2.08 | Urea cycle; Arginine and Proline Metabolism | Amino acid |
| 3‐Hydroxybutyrate | 4.16, 2.40, 2.31, 1.20 | Ketone Bodies | Lipid |
| Lactate | 4.12, 1.33 | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | Carbohydrate |
| Myo‐inositol | 4.07, 3.63, 3.29 | Inositol metabolism | Lipid |
| Choline | 4.07, 3.21 | Glycerolipid metabolism | Lipid |
| Creatinine | 4.05, 3.04 | Creatine metabolism | Amino acid |
| Serine | 4.04, 4.00 | Glycine, serine, and threonine metabolism | Amino acid |
| 2‐hydroxobutyrate | 4.04, 0.94, 0.93 | Cysteine, methionine, SAM, taurine metabolism | Amino acid |
| Creatine | 3.93 | Creatine metabolism | Amino acid |
| Valine | 3.61, 1.04, 0.99 | Valine, leucine, and isoleucine metabolism | Amino acid |
| Glycerol | 3.58, 3.66 | Glycerolipid metabolism | Lipid |
| Glycine | 3.56 | Glycine, serine, and threonine metabolism | Amino acid |
| Proline | 3.33 | Urea cycle; Arginine and Proline Metabolism | Amino acid |
| Phosphocholine | 3.21, 4.16 | Phospholipid Metabolism | Lipid |
| Dimethyl sulfone | 3.16 | Gut microbiota | |
| Ethanolamine | 3.13 | Glycerolipid metabolism | Lipid |
| Ornithine | 3.06 | Urea cycle; Arginine and Proline Metabolism | Amino acid |
| Albumin lysyl | 2.99 | Protein | Lipid |
| Asparagine | 2.86, 2.83 | Alanine and aspartate metabolism | Amino acid |
| Lipids = C‐CH2‐C= | 2.75 | Fatty Acid Metabolism | Lipid |
| Citrate | 2.68, 2.54 | Krebs cycle | Energy |
| Glutamine | 2.50, 2.45, 2.14 | Glutamate metabolism | Amino acid |
| Pyruvate | 2.38 | Glycolysis, Gluconeogenesis, and Pyruvate Metabolism | Carbohydrate |
| Glutamate | 2.36, 2.08 | Glutamate metabolism | Amino acid |
| Acetoacetate | 2.27 | Ketone bodies | Lipid |
| Adipic acid | 2.23, 1.54 | Fatty Acid, Dicarboxylate | Lipid |
| Glutathione | 2.19 | Glutathione Metabolism | Amino acid |
| Acetyl signals from glycoproteins | 2.04 | Glycoprotein | Lipid |
| Lipids CH2‐C = C | 1.99 | Fatty Acid Metabolism | Lipid |
| Acetate | 1.92 | Gut microbiota | |
| Lysine | 1.89, 1.71, 3.03 | Lysine metabolism | Amino acid |
| Arginine | 1.89, 1.59 | Urea cycle; Arginine and Proline Metabolism | Amino acid |
| Alanine | 1.48 | Alanine and aspartate metabolism | Amino acid |
| Lipids CH3(CH2)n | 1.26 | Fatty Acid Metabolism | Lipid |
| Isopropanol | 1.18 | Gut microbiota | |
| Isobutyrate | 1.08 | Gut microbiota | |
| Isoleucine | 1.01, 0.94 | Leucine, Isoleucine, and Valine Metabolism | Amino acid |
| Leucine | 0.96 | Leucine, Isoleucine, and Valine Metabolism | Amino acid |
| 3‐methyl‐oxovalerate | 0.92 | Leucine, Isoleucine, and Valine Metabolism | Amino acid |
| Lipids ‐CH3 (HDL) | 0.84 | Fatty Acid Metabolism | Lipid |
| Not identified integrated peaks | 1.06, 1.15, 1.19, 1.36, 1.38, 1.42, 1.43, 1.44, 1.81, 2.06, 6.81 |
Metabolites are listed in descending order according to their resonant frequency in ppm. Numbers marked in bold indicate the frequency selected for analyses.