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. 2006 Aug 8;103(33):12511–12516. doi: 10.1073/pnas.0601056103

Table 1.

1H NMR-derived metabotypes significantly associated with the response of BALB/c and 129S6 mice to dietary intervention at 5 months of age

Biomarkers OPLSDA coef δ, ppm BALB/c LFD BALB/c HFD 129S6 LFD 129S6 HFD
PC (p) 3.219 −0.24 0.71 −0.43 −0.07
Choline (u) 3.203 −0.28 0.56 −0.26 0.09
TMA (u) 2.892 −0.28 0.20 −0.41 0.70
TMAO (u) 3.2705 −0.35 0.14 −0.39 0.83
DMA (u) 2.728 −0.27 0.30 −0.49 0.69
MMA (u) 2.77 −0.26 0.23 −0.47 0.72
DMG (u) 2.93 0.81 −0.14 −0.40 −0.33
Creatine (u) 3.0405 0.69 −0.42 0.06 −0.51
Glycerate (u) 4.0975 −0.52 −0.50 0.81 0.09
Gluratate (u) 1.792 −0.18 −0.48 0.84 −0.39
Isovalerate (u) 2.19 −0.41 −0.47 0.88 −0.17
Pyruvate (u) 2.347 −0.15 0.81 −0.50 0.00

The OPLSDA model coefficients are listed for each of the models reported in Fig. 2. For each metabolite, we report the chemical shift δ (in parts per million) and the OPLSDA-derived correlation (coef) for each class in the model: BALB/c LFD, BALB/c HFD, 129/S6 LFD, and 129/S6 HFD. A positive (negative) correlation means a higher (lower) intensity of the NMR resonance of the metabolite significantly associated to the corresponding class. (p), plasma; (u), urine.