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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