Skip to main content

Advertisement

Table 1 Differential Metabolites derived from OPLS-DA model of 1 H NMR analysis between rectal cancer patients and normal controls

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

Metabolites chemical shift Mutiplicitya Rectal cancer vs. normal control
(ppm) VIPb P-valuec FCd
1 Myo-inositol 4.06 t 4.32 <0.001 -2.00
  3.55 dd 4.21 <0.001 -2.05
  3.63 t 3.91 <0.001 -2.16
2 Taurine 3.27 t 4.25 <0.001 -2.10
3 α-Glucose 3.55 dd 4.21 <0.001 -2.05
  5.23 dd 3.42 <0.001 -4.94
4 Phosphocreatine 3.93 s 3.56 <0.001 -2.13
  3.04 s 3.30 <0.001 -2.11
5 Creatine 3.94 s 3.56 <0.001 -2.13
  3.04 s 3.30 <0.001 -2.11
6 Betaine 3.89 s 2.70 <0.001 -1.89
7 Dimethylglycine 3.71 s 2.64 <0.001 -2.38
8 Glyceryl 4.3 m 2.51 <0.001 -1.45
9 Lactate 1.33 d 2.34 <0.001 1.24
  4.11 q 1.55 <0.001 1.80
10 Threonine 1.33 d 2.34 <0.001 1.24
  4.24 m 0.77 0.296 1.04
11 Acetate 1.93 s 2.27 0.004 2.97
12 Glutathione 2.56 m 2.19 <0.001 1.60
  2.96 m 1.79 0.012 1.23
13 Uracil 7.54 d 2.16 <0.001 3.12
  5.8 d 2.09 <0.001 3.27
14 Succinate 2.41 s 2.14 <0.001 1.84
15 O-acetyl glycoprotein 2.07 s 1.96 <0.001 1.77
16 Dimethylamine 2.73 s 1.94 0.029 1.28
17 Leucine 0.96 t 1.73 <0.001 1.17
18 Valine 1.05 d 1.72 0.166 1.48
  0.99 d 1.66 0.016 1.36
19 β-hydroxybutyrate 1.2 d 1.69 <0.001 2.05
  4.16 m 0.57 0.565 1.04
20 Formate 8.45 s 1.67 0.001 1.43
21 Glutamine 2.14 m 1.63 0.001 1.45
  3.77 m 1.09 <0.001 1.35
22 Acetoacetate 2.28 s 1.55 0.008 1.21
23 Sarcosine 2.75 s 1.48 <0.001 1.02
24 Tyrosine 7.2 d 1.42 <0.001 -1.42
  6.9 d 1.32 0.029 -1.30
25 Alanine 1.48 d 1.38 0.054 1.70
26 Acetoacetic acid 2.31 s 1.36 0.051 1.19
27 Serine 3.98 m 1.29 <0.001 1.45
28 Isoleucine 1.01 d 1.22 0.301 1.13
  0.95 t 1.20 0.002 1.16
29 Methylamine 2.59 s 1.19 0.001 1.30
30 Trimethylamine-N-oxide 3.27 s 1.11 <0.001 2.96
31 Lysine 3.77 m 1.09 <0.001 1.35
32 Acetone 2.23 s 1.06 0.445 1.08
33 PC(phosphochline) 3.21 s 1.05 <0.001 1.22
  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.