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Table 2 Summary of potential biomarkers of ankylosing spondylitis by plasma, urine and tissue metabolomic analysis

From: Plasma, urine and ligament tissue metabolite profiling reveals potential biomarkers of ankylosing spondylitis using NMR-based metabolic profiles

Metabolite

Sample type

Statusa

Chemical shift

Correlation coefficient (AS vs HC)b

VIP valueb

FCc

P valued

Leucine

Plasma

↓

0.96 (d), 0.97 (d), 1.72 (m), 1.72 (m), 3.73 (t)

−0.452

0.698

0.932

0.045

Valine

Plasma

↓

1.00 (d), 1.05 (d), 2.28 (m), 3.62 (d)

−0.302

1.090

0.86

<0.001

3-HB

Plasma

↑

1.20 (d), 2.32 (dd), 2.42 (dd), 4.16 (m)

0.422

1.328

1.254

<0.001

Alanine

Plasma

↓

1.48 (d), 3.77 (q)

−0.332

1.664

0.770

<0.001

NAG

Plasma

↑

2.05 (s)

0.570

0.065

1.207

<0.001

Methionine

Plasma

↑

2.14 (s), 2.16 (m), 2.65 (t), 3.87 (t)

0.597

1.701

1.325

<0.001

TG (L1, L2, L3, L5, L7, L8)

Plasma

↓

0.86 (t), 0.88 (t), 1.27 (m), 2.01 (m), 2.76 (m), 5.30 (m)

−0.400

0.977

0.814–1.077

<0.05

Acetone

Plasma

↑

2.23 (s)

0.298

1.358

1.415

<0.001

Acetoacetate

Plasma

↑

2.29 (s)

2.294

0.884

1.249

<0.001

Betaine

Plasma

↑

3.26 (s), 3.91 (s)

0.334

0.287

1.038

0.030

Glycerol

Plasma

↑

3.65 (dd), 3.56 (dd), 3.77 (m)

0.328

1.400

1.207

<0.001

Glucose

Plasma

↓

3.42 (dd), 3.54 (dd), 3.71 (dd), 3.78 (m), 3.84 (m), 5.26 (d)

−0.317

0.559

0.909

0.013

Glutamate

Plasma

↓

2.07 (m), 2.35 (m), 3.75 (m)

−0.374

1.300

0.789

<0.001

Butyrate

Urine

↓

0.90 (t), 1.56 (m), 2.16 (t)

−0.447

1.533

0.896

0.003

Creatinine

Urine

↓

3.04 (s), 3.93 (s)

−0.331

1.330

0.814

0.018

Glycine

Urine

↑

3.56 (s)

3.392

1.088

1.298

0.009

Hippurate

Urine

↑

7.84 (d), 7.64 (t), 7.56 (dd)

0.421

0.772

1.320

0.017

PAG

Urine

↓

8.03 (d), 7.36 (m), 7.37 (m), 7.43 (m)

−0.306

1.213

0.895

0.028

Glutamate

Urine

↓

2.07 (m), 2.35 (m), 3.75 (m)

−0.429

1.541

0.919

0.002

2-PY

Urine

↑

7.83 (dd), 8.55 (d)

0.461

0.700

1.182

0.049

TG (L2, L3, L5, L6, L7, L8)

Tissue

↑

0.88 (t), 1.27 (m), 2.01 (m), 2.30 (m), 2.76 (m), 5.33 (m)

0.946

1.060

2.490–7.039

<0.001

Choline

Tissue

↓

4.14 (m), 4.29 (m), 5.26 (m)

−0.680

0.718

0.242

<0.001

  1. Abbreviations: AS Ankylosing spondylitis, VIP Variable importance for projection, FC Fold change, 3-HB 3-Hydroxybutyrate, NAG N-acetyl glycoprotein, TG Triglycerides, PAG Phenylacetylglycine, 2-PY 2-Pyridone-3-carboxamide, L1 CH 3(CH2)n., L2 CH 3CH2CH2C=, L3 -(CH 2)n-, L5 -CH 2C = C-, L6 CH 2CO, L7 C = CCH 2C = C, L8 -CH = CH-
  2. aRelative concentrations compared with healthy control subjects: ↑ = up-regulated; ↓ = down-regulated
  3. bCorrelation coefficient and VIP value were obtained from orthogonal projection to latent structures discriminant analysis
  4. cFold change between patients with AS and healthy control subjects
  5. d P value determined using Student’s t test