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Table 2 Plasma metabolites significantly associated with DAS28-CRP

From: Plasma metabolomic profiling in patients with rheumatoid arthritis identifies biochemical features predictive of quantitative disease activity

Metabolite name Super-pathwayα Sub-pathwayα HMDB IDβ Regression coefficientγ P-valueδ
3-Hydroxystearate Lipid Fatty acid, monohydroxy N/A 0.418 0.002
Phenol sulfate Amino acid Tyrosine metabolism HMDB60015 −0.265 0.003
Trimethylamine N-oxide Lipid Phospholipid metabolism HMDB00925 0.485 0.004
Bilirubin (E,E) Cofactors and vitamins Hemoglobin and porphyrin metabolism N/A −0.612 0.007
Serine Amino acid Glycine, serine, and threonine metabolism HMDB00187 −1.594 0.010
Dimethylguanidino valeric acid (DMGV) Amino acid Urea cycle; arginine and proline metabolism N/A 0.325 0.011
N-acetyltryptophan Amino acid Tryptophan metabolism HMDB13713 −0.918 0.012
Glycoursodeoxycholate Lipid Secondary bile acid metabolism HMDB00708 0.051 0.012
N-acetylneuraminate Carbohydrate Aminosugar metabolism HMDB00230 0.470 0.013
Dihomo-linoleoylcarnitine (C20:2) Lipid Fatty acid metabolism (acyl carnitine, polyunsaturated) N/A −0.745 0.013
N-acetyltyrosine Amino acid Tyrosine metabolism HMDB00866 −0.713 0.014
Branched chain 14:0 dicarboxylic acid Lipid Fatty acid, dicarboxylate N/A −0.201 0.014
1-Carboxyethylvaline Amino acid Leucine, isoleucine, and valine metabolism N/A 0.408 0.015
(14 or 15)-methylpalmitate (a17:0 or i17:0) Lipid Fatty acid, branched N/A 0.227 0.017
Isoursodeoxycholate Lipid Secondary bile acid metabolism HMDB00686 0.059 0.018
Glucuronate Carbohydrate Aminosugar metabolism HMDB00127 0.396 0.019
Glucose Carbohydrate Glycolysis, gluconeogenesis, and pyruvate metabolism HMDB00122 1.107 0.019
Linoleoylcarnitine (C18:3) Lipid Fatty acid metabolism (acyl carnitine, polyunsaturated) N/A −0.534 0.020
1-Methylhistidine Amino acid Histidine metabolism HMDB00001 0.580 0.020
Trigonelline (N′-methylnicotinate) Cofactors and vitamins Nicotinate and nicotinamide metabolism HMDB00875 −0.227 0.020
Palmitoyl ethanolamide Lipid Endocannabinoid HMDB02100 0.067 0.020
Hypoxanthine Nucleotide Purine metabolism, (hypo)xanthine/inosine containing HMDB00157 0.482 0.022
Biliverdin Cofactors and vitamins Hemoglobin and porphyrin metabolism HMDB01008 −0.436 0.022
Linoleoylcarnitine (C18:2) Lipid Fatty acid metabolism (acyl carnitine, polyunsaturated) HMDB06469 −0.814 0.023
3-Methylhistidine Amino acid Histidine metabolism HMDB00479 0.140 0.025
N-acetylarginine Amino acid Urea cycle; arginine and proline metabolism HMDB04620 −0.755 0.026
4-Guanidinobutanoate Amino acid Guanidino and acetamido metabolism HMDB03464 0.347 0.026
1-Carboxyethylisoleucine Amino acid Leucine, isoleucine, and valine metabolism N/A 0.307 0.026
Cysteinylglycine disulfide Amino acid Glutathione metabolism HMDB00709 1.562 0.027
Guanidinoacetate Amino acid Creatine metabolism HMDB00128 −1.125 0.027
N2-acetyl,N6-methyllysine Amino acid Lysine metabolism N/A −0.213 0.028
Lysine Amino acid Lysine metabolism HMDB00182 −1.395 0.031
1,6-Anhydroglucose Xenobiotics Food component/plant HMDB00640 0.097 0.032
Pyrraline Xenobiotics Food component/plant HMDB33143 0.190 0.032
Mannose Carbohydrate Fructose, mannose, and galactose metabolism HMDB00169 0.633 0.032
Ectoine Xenobiotics Chemical N/A 0.123 0.036
6-Bromotryptophan Amino acid Tryptophan metabolism N/A −0.758 0.037
1-Linoleoyl-GPA (18:2) Lipid Lysophospholipid HMDB07856 −0.371 0.039
Eicosenoylcarnitine (C20:1) Lipid Fatty acid metabolism (acyl carnitine, monounsaturated) N/A −0.557 0.039
Erucate (22:1n9) Lipid Long-chain monounsaturated fatty acid HMDB02068 0.346 0.040
Bilirubin Cofactors and vitamins Hemoglobin and porphyrin metabolism HMDB00054 −0.432 0.042
Stearoyl ethanolamide Lipid Endocannabinoid HMDB13078 0.070 0.043
3-Phenylpropionate (hydrocinnamate) Xenobiotics Benzoate metabolism HMDB00764 −0.178 0.043
Beta-hydroxyisovalerate Amino acid Leucine, isoleucine, and valine metabolism HMDB00754 0.723 0.045
Myo-inositol Lipid Inositol metabolism HMDB00211 0.944 0.045
Gulonate Cofactors and vitamins Ascorbate and aldarate metabolism HMDB03290 0.575 0.047
Gluconate Xenobiotics Food component/plant HMDB00625 0.539 0.047
Tryptophan Amino acid Tryptophan metabolism HMDB00929 −1.139 0.048
1-Carboxyethylleucine Amino acid Leucine, isoleucine, and valine metabolism N/A 0.350 0.048
Alpha-ketobutyrate Amino acid Methionine, cysteine, SAM, and taurine metabolism HMDB00005 0.268 0.049
Lanthionine Amino acid Methionine, cysteine, SAM, and taurine metabolism N/A −0.229 0.049
  1. N/A not available
  2. αSuper-pathways and sub-pathways were defined by Metabolon’s Discovery HD4™ platform
  3. βMetabolite IDs provided by the Human Metabolome Database (HMDB)
  4. γCoefficients of the predictor variables (metabolites) in the mixed-effects linear regression model from the discovery cohort (n = 128). Sign and magnitude of the coefficient indicate direction and strength of the correlation (between the metabolite and DAS28-CRP), respectively
  5. δP-values were retrieved from the corresponding regression coefficients