Table 3 Identified metabolite associated with CON in the CON–NP OPLS-DA model.

From: Systemic differences in serum metabolome: a cross sectional comparison of women with localised and widespread pain and controls

Identified metabolite

w* [CI]

p-value

q-valuea

Threonic acid

−0.137 [−0.176– −0.098]

1.2 × 10−8*

0.0035#

DL-Cysteine

−0.136 [−0.177– −0.096]

2.7 × 10−9*

0.0033#

Erythrose-4-phosphate

−0.125 [−0.149– −0.101]

1.3 × 10−7*

0.0047#

Cholesterol

−0.119 [−0.157– −0.081]

4.8 × 10−7*

0.006#

Inosine

−0.117 [−0.151– −0.083]

8.9 × 10−8*

0.0045#

DL-Glycerol-3-phosphate

−0.112 [−0.151– −0.073]

4.8 × 10−6*

0.007#

Cholesterol

−0.104 [−0.145– −0.062]

2.1 × 10−5*

0.0086#

DL-Glutamine

−0.094 [−0.127– −0.061]

4.3 × 10−6*

0.0066#

L-Serine

−0.093 [−0.124– −0.062]

0.0001*

0.0105#

Octadecanoic acid (Stearic acid)

−0.085 [−0.122– −0.049]

0.0023*

0.0154#

Creatinine

−0.081 [−0.118– −0.044]

0.0029*

0.0165#

DL-Serine

−0.077 [−0.114– −0.04]

0.0024*

0.0160#

Taurine

−0.074 [−0.111– −0.037]

0.0022*

0.0152#

DL-Glyceric acid

−0.07 [−0.108– −0.033]

1.1 × 10−5*

0.0076#

Asparagine

−0.07 [−0.109– −0.03]

0.0031*

0.0171#

Arginine

−0.069 [−0.099– −0.038]

0.0033*

0.0177#

α-Tocopherol (Vitamin E)

−0.067 [−0.093– −0.041]

0.0054*

0.0185#

Campesterol

−0.064 [−0.106– −0.021]

0.0173*

0.0216#

Monomethylphosphate

−0.062 [−0.104– −0.019]

0.0150*

0.0212#

Ornithine

−0.061 [−0.086– −0.035]

0.0170*

0.0214#

L-Tyrosine

−0.06 [−0.099– −0.021]

0.0107*

0.0202#

D-Mannose

−0.059 [−0.091– −0.028]

0.0073*

0.0189#

L-Cystine

−0.058 [−0.103– −0.012]

0.0241*

0.0235

Aminomalonic acid

−0.055 [−0.073– −0.037]

0.0014*

0.0142#

D(-)Quinic acid

−0.055 [−0.088– −0.021]

0.0533

0.0259

Pipecolic acid

−0.052 [−0.098– −0.007]

0.0540

0.0261

β—Sitosterol

−0.049 [−0.083– −0.015]

0.0831

0.0275

Benzenebutanoic acid

−0.044 [−0.082– −0.006]

0.0940

0.0276

  1. Metabolites have w*cross-validated confidence intervals (95%) not including 0. * = significant change from NP p > 0.05 (one-way ANOVA). # = significant change (one-way ANOVA) from NP after false discovery rate correction60 i.e. have a p-value < q-value. Metabolites are sorted with the most negative w* on top, i.e. the most closely associated with CON in the OPLS-DA model. Multiple entries of the same metabolite reflect different degrees of derivatisation or split peaks.
  2. aThe q-value for each individual ANOVA is the minimal level at which the p-value of that ANOVA may be considered significant60.
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