Table 2 Levels of the 42 selected metabolites, p values, VIP score, and AUC values in urine of 4 w and 7 w AS mouse model.

1

Lactic acid

612.6 ± 151.3

1460.0 ± 1126.2

2.38

0.019

1.79

0.79

898.4 ± 378.4

4570.6 ± 5107.5

5.09

0.0021

1.52

0.90

2

Isovalerylglycine

823.7 ± 187.9

680.7 ± 131.8

0.83

0.046

1.11

0.75

3209.3 ± 1157.0

866.3 ± 523.0

0.27

0.000043

2.00

0.99

3

Glutamic acid

3.9 ± 3.9

6.9 ± 3.9

1.77

0.023

1.53

0.79

333.1 ± 188.2

707.5 ± 416.9

2.12

0.022

1.28

0.81

4

Proline

19.8 ± 18.3

38.1 ± 20.5

1.93

0.019

1.57

0.79

55.1 ± 25.4

182.1 ± 86.5

3.30

0.000087

1.89

0.98

5

Alanine

20.8 ± 11.6

38.0 ± 23.9

1.83

0.028

1.63

0.78

99.2 ± 23.9

389.0 ± 317.0

3.92

0.000022

1.85

1.00

6

β-Aminoisobutyric acid

5.0 ± 3.1

2.8 ± 2.0

0.56

0.039

1.36

0.76

65.2 ± 22.9

38.8 ± 11.7

0.59

0.010

1.27

0.84

7

Xanthurenic acid

64.9 ± 19.2

47.0 ± 13.8

0.72

0.028

1.33

0.78

818.4 ± 341.1

372.9 ± 152.9

0.46

0.0041

1.50

0.88

8

Suberic acid

26.0 ± 17.0

13.2 ± 6.2

0.51

0.016

1.56

0.80

20.5 ± 10.6

52.1 ± 35.9

2.54

0.0030

1.46

0.89

9

5-Hydroxyindoleacetic acid

37.5 ± 16.7

21.9 ± 13.8

0.58

0.039

1.49

0.76

217.0 ± 76.0

398.8 ± 76.1

1.84

0.00041

1.85

0.94

10

Ethylmalonic acid

58.8 ± 20.2

36.2 ± 23.5

0.62

0.019

1.74

0.79

36.3 ± 12.8

62.0 ± 32.4

1.71

0.095

1.12

0.73

11

Methylsuccinic acid

54.1 ± 11.1

41.0 ± 10.6

0.76

0.033

1.69

0.77

85.5 ± 29.4

78.0 ± 21.7

0.91

0.720

0.28

0.56

12

Fumaric acid

471.3 ± 303.6

208.9 ± 137.0

0.44

0.028

1.61

0.78

322.6 ± 167.2

536.5 ± 376.6

1.66

0.278

0.05

0.66

13

3-Hydroxy-3-methylglutaric acid

246.4 ± 49.3

197.4 ± 53.4

0.80

0.039

1.47

0.76

300.3 ± 169.9

259.4 ± 92.5

0.86

0.842

0.05

0.53

14

3-Methyladipic acid

8.8 ± 3.4

5.6 ± 2.2

0.63

0.016

1.62

0.80

18.0 ± 7.6

12.1 ± 2.2

0.68

0.095

1.04

0.73

15

cis-Aconitic acid

681.2 ± 182.9

553.9 ± 116.2

0.81

0.039

1.19

0.76

1137.5 ± 371.1

1103.2 ± 542.6

0.97

0.905

0.34

0.52

16

2-Hydroxyhippuric acid

5.4 ± 1.5

3.8 ± 0.7

0.69

0.016

1.77

0.80

17.5 ± 8.9

13.1 ± 3.8

0.75

0.497

0.51

0.60

17

3-Indoleglyoxylic acid

25.0 ± 6.4

18.1 ± 3.7

0.72

0.0086

1.60

0.83

28.7 ± 9.9

32.6 ± 7.9

1.14

0.400

0.58

0.62

18

Tryptophan

7.7 ± 2.7

11.8 ± 4.8

1.53

0.016

1.54

0.80

40.1 ± 10.4

56.6 ± 24.4

1.41

0.133

0.82

0.71

19

β-Alanine

6.5 ± 3.2

3.4 ± 1.9

0.52

0.0055

1.83

0.84

100.1 ± 24.0

92.4 ± 28.5

0.92

0.278

0.70

0.66

20

Pyruvic acid

227.4 ± 118.0

177.7 ± 44.4

0.78

0.336

0.86

0.63

240.8 ± 50.5

373.7 ± 124.7

1.55

0.0057

1.48

0.87

21

Acetoacetic acid

383.5 ± 387.7

218.6 ± 167.2

0.57

0.781

0.37

0.54

91.7 ± 62.7

1331.4 ± 932.1

14.51

0.000022

2.02

1.00

22

Oxaloacetic acid

679.4 ± 256.1

558.9 ± 190.6

0.82

0.781

0.85

0.54

794.3 ± 171.6

1109.7 ± 185.4

1.40

0.010

1.56

0.84

23

Hexanoylglycine

132.3 ± 89.6

73.8 ± 36.0

0.56

0.159

1.31

0.68

521.2 ± 216.8

193.9 ± 81.2

0.37

0.000022

1.91

1.00

24

Pimelic acid

59.4 ± 42.0

39.1 ± 8.1

0.66

0.053

1.07

0.75

63.2 ± 28.2

132.9 ± 72.1

2.10

0.028

1.35

0.80

25

Azelaic acid

31.2 ± 36.9

15.7 ± 4.5

0.50

0.403

0.76

0.61

21.9 ± 14.8

102.2 ± 97.7

4.66

0.0057

1.47

0.87

26

3-Indolecarboxylic acid

30.2 ± 14.2

18.8 ± 5.3

0.62

0.062

1.37

0.74

20.8 ± 6.9

27.8 ± 4.6

1.33

0.035

1.22

0.79

27

Vanillylmandelic acid

2.3 ± 0.8

2.0 ± 0.4

0.86

0.336

0.66

0.63

2.6 ± 0.9

3.8 ± 0.6

1.45

0.0057

1.51

0.87

28

Phenylalanine

42.2 ± 17.1

60.0 ± 25.6

1.42

0.109

1.18

0.71

75.8 ± 22.1

155.7 ± 84.5

2.05

0.0021

1.51

0.90

29

Citrulline

0.63 ± 0.46

0.57 ± 0.34

0.90

0.975

0.27

0.51

23.5 ± 10.5

59.4 ± 45.3

2.53

0.028

1.38

0.80

30

1-Methylhistidine

13.7 ± 5.4

15.4 ± 4.3

1.12

0.439

0.60

0.60

68.3 ± 14.4

55.9 ± 11.2

0.82

0.022

1.02

0.81

31

Picolinic acid

6.4 ± 7.1

6.5 ± 3.1

1.01

0.250

0.53

0.65

1.7 ± 0.8

9.1 ± 10.0

5.44

0.0076

1.37

0.86

32

3-Hydroxyanthranilic acid

6.4 ± 3.3

4.0 ± 3.1

0.63

0.096

1.29

0.71

10.5 ± 2.9

17.5 ± 5.1

1.67

0.0030

1.60

0.89

33

Anthranilic acid

0.56 ± 0.26

0.89 ± 0.74

1.60

0.403

0.80

0.61

0.82 ± 0.46

3.6 ± 3.2

4.33

0.017

1.45

0.82

34

5,6-Dihydrouridine

590.0 ± 193.1

514.4 ± 120.4

0.87

0.369

0.52

0.62

1032.2 ± 405.6

521.6 ± 182.4

0.51

0.0010

1.71

0.92

35

Pseudouridine

692.2 ± 371.4

498.5 ± 161.8

0.72

0.439

0.55

0.60

1848.3 ± 792.4

1128.7 ± 512.8

0.61

0.017

1.18

0.82

36

Uridine

11.9 ± 6.1

11.1 ± 4.8

0.93

0.643

0.01

0.56

37.0 ± 18.1

14.3 ± 11.8

0.39

0.0048

1.57

0.89

37

Guanosine

11.3 ± 7.6

13.8 ± 7.0

1.22

0.224

0.80

0.66

18.7 ± 13.4

11.1 ± 10.4

0.59

0.020

1.42

0.82

38

Xanthosine

12.0 ± 10.0

5.4 ± 4.1

0.45

0.250

0.90

0.65

41.9 ± 18.1

22.0 ± 13.9

0.53

0.028

1.18

0.80

39

3-Methyluridine

8.9 ± 2.2

7.1 ± 2.2

0.79

0.062

1.15

0.74

8.4 ± 2.7

3.2 ± 2.0

0.38

0.00041

1.37

0.94

40

1-Methylguanosine

40.5 ± 21.6

31.1 ± 9.6

0.77

0.403

0.49

0.61

25.3 ± 12.3

12.3 ± 6.0

0.49

0.0037

1.47

0.90

41

N²,N²-Dimethylguanosine

15.2 ± 6.9

11.9 ± 7.0

0.78

0.141

0.83

0.69

32.5 ± 20.3

6.9 ± 4.4

0.21

0.00049

1.81

0.98

42

N⁴-Acetylcytidine

437.0 ± 142.6

372.6 ± 120.1

0.85

0.305

0.66

0.63

732.8 ± 294.1

263.1 ± 239.8

0.36

0.0030

1.50

0.89