Tissue metabolic profiling of human gastric cancer assessed by 1H NMR

Wang, Huijuan; Zhang, Hailong; Deng, Pengchi; Liu, Chunqi; Li, Dandan; Jie, Hui; Zhang, Hu; Zhou, Zongguang; Zhao, Ying-Lan

doi:10.1186/s12885-016-2356-4

BMC Cancer

Table 2 Differential Metabolites derived from OPLS-DA model of ¹H NMR analysis between gastric cancer patients and normal controls

From: Tissue metabolic profiling of human gastric cancer assessed by ¹H NMR

Metabolites	Chemical shift	Mutiplicity^a	Gastric cancer vs Normal control
Metabolites	(ppm)	Mutiplicity^a	VIP^b	FC^c	P Value^d	Adjust p value	FDR
1 VLDL: CH ₃-(CH_{2) n-}	0.892	br	1.15	−1.31	0.015	0.003	0.020
2 Isoleucine	0.942	t	2.35	1.12	0.000	0.000	0.000
	1.014	d	3.05	1.37	0.000	0.000	0.000
3 Leucine	0.96	t	2.28	1.02	0.000	0.000	0.000
4 Valine	0.99	d	2.81	1.12	0.000	0.000	0.000
	1.01	d	2.81	1.10	0.000	0.000	0.000
5 β-hydroxybutyrate	1.2	d	1.03	−1.31	0.002	0.007	0.003
	4.16	d	2.27	−1.02	0.000	0.000	0.000
6 Lactate	1.33	d	3.62	1.22	0.000	0.000	0.000
	4.11	q	2.14	1.16	0.000	0.000	0.000
7 2-Hydroxyisobutyric acid	1.44	s	1.26	−1.02	0.000	0.000	0.000
8 Citrulline	1.57	m	2.51	−2.25	0.000	0.000	0.000
9 VLDL: −CH ₂-CH₂-CH₂O	1.58	br	2.64	−1.76	0.000	0.000	0.000
10 Acetate	1.93	s	2.24	−1.19	0.000	0.000	0.000
11 N-Acetyl glycoprotein	2.05	s	1.81	1.14	0.000	0.000	0.000
12 O-Acetyl glycoprotein	2.07	s	3.32	2.10	0.000	0.000	0.000
13 D-ribose	2.23	s	1.84	−1.56	0.000	0.000	0.000
14 Acetone	2.23	s	1.84	−1.56	0.000	0.000	0.000
15 Lipid,-CH ₂-C = O	2.26	br	1.87	−1.18	0.000	0.000	0.000
16 Acetoacetate	2.28	s	1.34	−1.16	0.019	0.013	0.027
17 Acetoacetic acid	2.31	s	1.50	−1.30	0.000	0.000	0.000
18 Glutamate	2.356	m	2.65	1.29	0.000	0.000	0.000
	3.768	m	2.52	1.18	0.000	0.000	0.000
19 Succinate	2.41	s	2.66	1.01	0.000	0.000	0.000
20 Glutamine	2.45	m	2.24	1.02	0.000	0.000	0.000
21 Glutathione	2.56	m	2.41	1.51	0.000	0.000	0.000
	2.96	m	2.28	1.45	0.000	0.000	0.000
22 Methylamine	2.59	s	2.03	2.26	0.000	0.000	0.000
23 Aspartate	2.68	dd	1.38	1.54	0.000	0.000	0.000
	2.82	dd	1.62	1.56	0.000	0.000	0.000
24 Dimethylamine	2.732	s	1.43	1.02	0.040	0.045	0.045
25 Acetic acid	3.00	s	1.99	−1.09	0.000	0.000	0.119
26 Phosphocreatine	3.04	s	1.95	−1.08	0.000	0.000	0.000
	3.93	s	1.12	−1.08	0.000	0.000	0.000
27 Creatine	3.04	s	1.95	−1.08	0.000	0.000	0.000
	3.94	s	1.12	−1.08	0.000	0.000	0.000
28 Ceatinine	3.04	s	1.95	−1.08	0.000	0.000	0.000
	3.448	s	1.03	−1.00	0.004	0.017	0.007
29 Choline	3.2	s	1.33	−1.34	0.000	0.011	0.000
30 PC (phosphochline)	3.21	s	1.78	−1.38	0.000	0.000	0.000
31 Trimethylamine-N-oxide (TMAO)	3.27	s	1.67	1.71	0.000	0.000	0.000
32 myo-Inositol	3.54	dd	2.69	−1.68	0.000	0.000	0.000
	3.63	t	2.73	−1.42	0.000	0.000	0.000
	4.06	m	2.71	−1.49	0.000	0.000	0.000
33 α-Glucose	3.54	dd	2.69	−1.68	0.000	0.000	0.000
	5.23	d	2.98	−2.83	0.000	0.000	0.000
34 Glycine	3.57	s	1.89	−1.33	0.056	0.040	0.046
35 Glycerol	3.65	dd	2.27	−1.51	0.000	0.000	0.000
36 Dimethylglycine	3.71	s	2.90	−2.18	0.000	0.000	0.000
37 Lysine	3.77	m	2.52	1.18	0.000	0.000	0.000
38 Glycolate	3.93	s	1.12	−1.08	0.000	0.000	0.000
39 Serine	3.98	m	2.14	1.10	0.000	0.000	0.000
40 Uracil	5.8	d	2.16	4.89	0.000	0.000	0.000
	7.54	d	2.11	2.33	0.000	0.000	0.000
41 Fumarate	6.53	s	1.23	1.20	0.001	0.007	0.002
42 4-hydroxyphenylactate	6.88	d	2.40	1.51	0.000	0.000	0.000
	7.18	d	2.59	1.22	0.000	0.000	0.000
43 Tyrosine	6.9	d	2.40	1.53	0.000	0.000	0.000
	7.2	d	2.59	1.22	0.000	0.000	0.031
44 Trytophan	7.29	m	1.36	−1.39	0.000	0.000	0.000
45 Phenyacetylglutamine	7.42	m	2.55	1.11	0.000	0.000	0.000
46 Adenine	8.12	m	1.26	1.21	0.002	0.000	0.004
47 Hypoxanthine	8.18	s	1.48	−1.08	0.001	0.001	0.003
	8.21	s	1.48	−1.42	0.000	0.001	0.000
48 Formate	8.44	s	1.39	−1.04	0.009	0.009	0.015

^aMultiplicity: s singlet, d doublet, t triplet, q quartet, dd doublet of doublets, m multiplet, br broad; ^bVariable importance in the projection was obtained from OPLS-DA model with a threshold of 1.0. ^cFold change (FC) between gastric cancer patients and normal controls. Fold change with a positive value indicates a relatively higher concentration present in gastric cancer patients while a negative value means a relatively lower concentration as compared to the normal controls. ^d P-value obtained from Student’s t-test

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