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Table 2 Metabolite changes between each stage of rectal cancers and normal controls

From: ¹H NMR-based metabolic profiling of human rectal cancer tissue

Metabolites chemical shift Mutiplicitya Normal control vs. I Normal control vs. II Normal control vs. III Normal control vs. IV
(ppm) VIPb P-valuec FCd VIPb P-valuec FCd VIPb P-valuec FCd VIPb P-valuec FCd
Myo-inositol 4.06 t 3.04 <0.001 -1.90 3.35 <0.001 -1.93 3.99 <0.001 -2.17 3.16 <0.001 -2.07
  3.55 dd 2.92 <0.001 -1.95 3.27 <0.001 -1.99 3.89 <0.001 -2.20 3.09 <0.001 -2.08
  3.63 t 2.35 <0.001 -2.00 2.71 <0.001 -2.04 3.42 <0.001 -2.36 2.80 <0.001 -2.42
Taurine 3.27 t 3.10 <0.001 -2.01 3.37 <0.001 -2.03 3.99 <0.001 -2.28 3.18 <0.001 -2.10
α-Glucose 3.55 dd 2.92 <0.001 -1.95 3.27 <0.001 -1.99 3.89 <0.001 -2.20 3.09 <0.001 -2.08
  5.23 dd 2.60 <0.001 -4.75 2.81 <0.001 -5.58 3.07 <0.001 -4.57 2.44 <0.001 -4.97
Phosphocreatine 3.93 s 3.02 <0.001 -2.34 3.10 <0.001 -2.07 3.50 <0.001 -2.09 2.91 <0.001 -2.02
  3.04 s 2.74 <0.001 -2.29 2.94 <0.001 -2.15 3.36 <0.001 -2.16 2.66 <0.001 -1.71
Creatine 3.94 s 3.02 <0.001 -2.34 3.10 <0.001 -2.07 3.50 <0.001 -2.09 2.91 <0.001 -2.02
  3.04 s 2.74 <0.001 -2.29 2.94 <0.001 -2.15 3.36 <0.001 -2.16 2.66 <0.001 -1.71
Glycolate 3.93 s 3.02 <0.001 -2.34 3.10 <0.001 -2.07 3.50 <0.001 -2.09 2.91 <0.001 -2.02
Betaine 3.89 s 1.97 <0.001 -1.85 2.56 <0.001 -2.10 2.57 <0.001 -1.88 1.88 <0.001 -1.62
Dimethylglycine 3.71 s 2.21 <0.001 -2.58 2.33 <0.001 -2.60 2.39 <0.001 -2.13 1.98 <0.001 -2.22
Glyceryl 4.3 m 2.32 <0.001 -1.48 2.40 <0.001 -1.46 2.59 <0.001 -1.45 1.98 <0.001 -1.38
Lactate 1.33 d     1.23 <0.001 1.27 1.84 <0.001 1.26 2.26 <0.001 1.22
  4.11 q     1.13 0.004 1.73 1.52 0.001 1.88 1.52 0.001 2.22
Threonine 1.33 d 0.08 <0.001 1.21 1.23 <0.001 1.27 1.84 <0.001 1.26 2.26 <0.001 1.22
Acetate 1.93 s        2.65 <0.001 6.95 1.61 <0.001 2.96
Glutathione 2.56 m 2.49 <0.001 1.62 2.41 <0.001 1.60 2.30 <0.001 1.46 2.35 <0.001 1.81
  2.96 m        1.84 <0.001 1.42 1.50 <0.001 1.39
Uracil 7.54 d 1.99 <0.001 3.04 2.58 <0.001 3.69 2.33 <0.001 2.94 2.33 <0.001 2.46
  5.8 d 0.91 <0.001 3.06 1.84 <0.001 3.60 2.12 <0.001 3.45 2.19 <0.001 2.67
Succinate 2.41 s 1.05 0.004 1.48 1.15 0.005 1.68 1.93 <0.001 1.75 2.08 <0.001 3.03
O-acetyl glycoprotein 2.07 s        2.30 <0.001 2.65 1.30 0.033 1.35
Mannitol 3.69 m 1.31 0.015 -1.20 1.79 <0.001 -1.32 1.53 0.005 -1.23 1.48 <0.001 -1.46
  3.88 m 1.44 <0.001 -1.31 1.68 <0.001 -1.36 1.37 0.004 -1.25 1.04 0.026 -1.24
Dimethylamine 2.73 s        1.24 0.069 1.16 1.97 <0.001 2.32
Leucine 0.96 t        1.22 0.004 1.19 1.73 <0.001 1.30
Valine 1.05 d           1.47 <0.001 3.29
  0.99 d     1.84 0.011 1.31 1.59 0.023 1.37 1.46 <0.001 1.93
β-hydroxybutyrate 1.2 d 1.10 0.613 -1.07 1.55 <0.001 2.75 2.49 <0.001 2.68 1.27 0.010 1.53
Glutamine 2.14 m        1.34 0.0011 1.50 1.43 0.003 1.75
  3.77 m     1.91 <0.001 1.53 1.43 <0.001 1.31 0.87 0.097 1.18
Acetoacetate 2.28 s           1.90 <0.001 1.55
Sarcosine 2.75 s           1.58 <0.001 2.15
Tyrosine 7.2 d 1.74 0.016 -1.38 1.64 0.012 -1.43 1.42 0.051 -1.28 1.31 0.004 -1.95
  6.9 d 1.61 0.277 -1.21 1.40 0.275 -1.20 1.29 0.269 -1.21 1.22 0.006 -2.55
Alanine 1.48 d     1.69 0.010 1.59 1.59 0.014 1.81 1.00 0.022 2.79
Acetoacetic acid 2.31 s           1.77 <0.001 1.60
Serine 3.98 m 1.31 <0.001 1.49 1.93 <0.001 1.56 1.58 <0.001 1.38 1.63 0.004 1.29
Isoleucine 1.01 d           1.16 0.006 1.54
  0.95 t           1.46 0.019 1.21
Trimethylamine-N-oxide 3.27 s     1.60 <0.001 3.59 1.23 <0.001 2.73 1.67 0.008 2.09
Lysine 3.77 m     1.91 <0.001 1.53 1.43 <0.001 1.31    
Acetone 2.23 s           1.34 0.003 1.49
PC(phosphochline) 3.21 s     1.68 <0.001 1.31 1.13 0.017 1.19 1.40 0.003 1.22
GPC(glycerophosphochline) 3.23 s 2.00 <0.001 1.49 1.75 <0.001 1.51 1.14 0.002 1.26 1.92 <0.001 1.35
NAD 8.83 d           1.05 0.015 3.25
  9.15 d           1.55 <0.001 1.97
2-Hydroxyisobutyric acid 1.44 s 1.00 0.018 -1.18 1.17 0.007 -1.22 1.23 0.012 -1.20    
Trytophan 7.29 m 1.35 0.012 -1.32 1.75 <0.001 -1.50       
Formic acid 8.44 s           1.53 <0.001 1.93
  1. aMultiplicity: s singlet, d doublet, t triplet, q quartet, dd doublet of doublets, m multiplet.
  2. bVariable importance in the projection was obtained from OPLS-DA model with a threshold of 1.0.
  3. cp-value obtained from Student’s t-test.
  4. dFold change(FC) between rectal cancers and normal controls. Fold change with a positive value indicates a relatively higher concentration present in rectal cancer patients while a negative value means a relatively lower concentration as compared to the normal controls.