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. 2017 May 30;8(30):49915–49930. doi: 10.18632/oncotarget.18307

Table 2. Levels (AUC) of discriminant metabolites in EBC clusters LR-1, LR-2 and LR-3.

METABOLITES δ1H (ppm)a VIP value AUC (LR-1)b AUC (LR-2)b AUC (LR-3)b p valuec
CARBOHYDRATES
LACTATE 1.32 13.76 11.31 (10.8–11.89) 7.91* (6.72–8.54) 5.87*$ (5.51–6.33) < 0 .001
PYRUVATE 2.36 2.02 0.50 (0.45–0.56) 0.36* (0.3–0 .41) 0.34* (0.31–0.36) < 0.001
GLUCOSE 3.76 2.55 2.90 (2.7–3.09) 3.23 (3.03–3.29) 2.98 (2.75–3.13) 0.008
CETONIC BODIES
ACETATE 1.92 1.65 0.19 (0.17–0.22) 0.18 (O.13–0.19) 0.21 (0.18–0.24) 0.025
ACETO-ACETATE 2.28 1.50 0.13 (011–0.16) 0.12 (0.09–0.21) 0.16 (0.12–0.26) 0.20
3-HX-BUTYRATE 4.16 1.48 0.18 (0.14–0.32) 0.20 (015–0.35) 0.22 (0.11–0.67) 0.92
AMINO ACIDS
ALANINE 1.46 0.98 1.95 (1.78–2 .29) 1.56 (1.44–1.87) 1.60 (1.55–2.05) 0.026
GLUTAMINE 2.42 1.20 1.50 (1.44–1.53) 1.48 (1.31–1.58) 1.68$ (1.59–1.78) 0.003
GLUTAMATE 2.00 1.12 0.43 (0.35–0.52) 0.32 (0.27–0.39) 0.48 (0.29–0.65) 0.15
LEUCINE 0.96 1.33 0.86 (0.77–1.09) 0.93 (0.78–1.04) 1.00 (0.89–1.07) 0.43
VALINE 0.98 0.95 0.93 (0.77–1.04) 0.87 (0.74–0.99) 0.89 (0.82–1.05) 0.75
GLYCINE 3.56 1.28 0.66 (0.58–0.86) 0.66 (0.48–0.80) 0.71 (0.49–0.95) 0.48
UREA METABOLITES
UREA 5.79 1.05 0.25 (0.19–0.47) 0.33 (026–0.66) 0.49 (0.32–0.96) 0.30
CREATININE 4.06 1.6 0.21 (0.19–0.23) 0.22 (0.19–0.25) 0.26 (0.23–0.3) 0.07
CREATINE 3.94 1.41 0.24 (0.21–0.29) 0.23 (0.16–0.28) 0.29 (0.23–0.33) 0.18

A: Chemical shift

B: Area Under the Curve (AUC): median (25%–75%).

C: Kruskal-Wallis One Way Analysis of Variance on Ranks and if significant Pairwise Multiple Comparison Procedures (Tukey test): After Bonferroni correction significant p level value < 0.003(*: significant compared to LR-1; $: significant compared to LR-2).