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Table 3 Metabolites identified to have a VIP score greater than 1 through the OPLS-DA model of the three sample classes and corresponding regression coefficient values

From: Metabolomic approach to profile functional and metabolic changes in heart failure

Class Variables VIP Coefficient values Metabolites
Group A Group B Group C
Group A 1.94 2.46 0.14 −0.07 −0.06 Acetate
0.9 2.40 0.07 0.05 −0.11 2-Hydroxybutyrate
0.98 2.27 0.11 −0.02 −0.08 Leucine/isoleucine
0.94 1.92 0.08 −0.01 −0.07 Leucine/isoleucine
1.66 1.88 0.05 0.03 −0.08 2-Hydroxybutyrate/leucine
1.18 1.67 0.09 −0.04 −0.04 3-Hydroxybutirate/ fucose
1.46 1.52 0.06 −0.01 −0.05 Alanine/isoleucine
1.5 1.44 0.04 0.03 −0.06 Alanine/isoleucine
2.42 1.26 0.06 −0.06 0.01 3-Hydroxybutirate/glutamina
1.1 1.22 0.05 0.01 −0.05 3-Methyl-2-oxovalerate
1.7 1.20 0.04 −0.05 0.01 2-Hydroxybutyrate
1.22 1.18 0.04 −0.05 0.01 3-Hydroxybutirate/ fucose
Group B 3.38 3.45 −0.22 0.13 0.08 Proline/methanol
3.9 2.12 −0.08 0.07 0.01 Glucose
3.22 1.78 −0.05 0.11 −0.06 Glycero-3-phosphocholine
3.94 1.76 −0.06 0.07 −0.01 Glucose/creatine
1.9 1.71 −0.07 0.11 −0.04 4-Aminobutyrate
3.42 1.54 0.03 0.08 −0.10 Glucose
3.74 1.45 −0.01 0.01 0.00 Glucose
1.26 1.44 −0.04 0.09 −0.05 Methylmalonate
1.86 1.25 −0.01 0.06 −0.05 4-Aminobutyrate
2.34 1.17 −0.03 0.07 −0.04 3-Hydroxybutirate/glutamate
3.98 1.07 −0.08 0.04 0.04 2-Hydroxybutyrate
2.7 1.01 −0.07 0.05 0.02 Citrate
1.34 4.43 0.00 −0.23 0.22 Lactate
3.7 3.05 −0.15 0.01 0.12 Glucose
Group C 3.66 2.52 −0.12 −0.02 0.13 Glucose/glycero-3-phosphocholine
3.62 2.50 −0.11 −0.03 0.13 Myo-inositol/glycero-3-phosphocholine
3.58 2.40 −0.07 −0.05 0.11 Myo-inositol/glycine
3.82 1.94 −0.03 −0.06 0.08 Glucose/guanidoacetate
4.14 1.65 0.00 −0.09 0.08 Lactate
3.3 1.51 −0.03 −0.05 0.07 Myo-inositol/glycine/OTMA
4.02 1.48 −0.08 0.01 0.06 2-Hydroxybutyrate
2.06 1.36 −0.06 −0.04 0.10 N-acetyl groups
4.06 1.09 −0.05 −0.01 0.05 Myo-inositol/creatinine
3.14 1.02 −0.08 0.03 0.04 Methylmalonate
  1. Higher value of the coefficients indicates higher comparative level of the corresponding metabolite in the class
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