Serum and urine metabolomic fingerprinting in diagnostics of inflammatory bowel diseases

Table 3 Significantly changed serum metabolites

Metabolite	Percentage difference					Relative Standard Deviation (%)
	CD vs UC	CD active vs UC active	IBD active vs control	IBD remission vs control	IBD active vs IBD remission	CD	CD active	UC	UC active	IBD active	IBD remission	Control
Lipids LDL CH3-(CH2)n-	-7.2	-4.0	-11.6	0.4	-11.9a	20.7	20.5	20.4	18.1	19.2	20.9	24.8
Lipids VLDL CH3-(CH2)n-	-6.4	-6.0	-12.9	-2.2	-10.9c	18.3	18.9	20.9	26.0	22.2	13.7	24.0
Leucine	1.2	0.7	15.3a	11.6	3.3	25.1	25.9	19.9	21.2	23.6	19.3	10.8
Isoleucine	6.2	6.5	23.6ac	12.4	9.9	22.2	20.5	22.5	24.8	22.1	22.0	13.9
3-Hydroxybutyrate	-6.5	3.8	52.6ac	45.9	4.6	50.2	48.1	76.8	53.9	49.6	94.4	34.1
Unk1 δ 1.39 ppm	4.9	1.8	9.3ac	-3.0	12.7ac	11.3	10.4	10.4	7.5	9.2	10.0	10.8
Alanine	12.2c	13.7	8.5	6.0	2.4	22.1	24.1	24.3	27.5	25.8	19.8	16.2
N-acetylated compounds	8.9ac	3.2	16.1ac	1.0	15.0ac	11.1	11.3	14.1	13.1	12.0	11.1	8.4
Acetoacetate	-2.8	4.4	77.3a	50.7	17.7	79.8	76.7	97.9	79.8	76.6	118.6	49.1
Citrate	2.6	2.5	-3.9	-10.9	7.9	20.5	20.2	23.9	26.1	22.4	21.5	27.5
Dimethylamine	-4.5	- 6.0	14.5	16.1ac	-1.5	23.4	25.4	16.3	16.9	21.8	15.0	22.7
Creatine	5.5	-4.1	-14.7c	-13.7	-1.1	24.9	22.6	31.4	31.0	26.2	32.9	28.4
Dimethyl sulfone	-0.9	4.0	-31.0ac	-22.9a	-10.5	31.2	33.1	30.1	25.6	29.8	30.4	36.1
Choline + PC + GPC	-5.0	-0.6	-15.0a	-2.2	-13.0	21.5	21.9	24.0	21.2	21.2	23.3	27.9
Glycine	6.8	0.8	26.6ac	13.7	11.3	20.3	21.2	24.6	26.8	23.3	19.9	21.2
Phenylalanine	6.8	0.1	19.8ac	-0.6	20.5ac	25.9	26.4	22.3	20.7	23.7	18.8	18.4
Histidine	2.6	7.8	-16.4ac	-6.7	-10.4	33.2	36.3	22.6	26.4	32.5	16.6	19.0
Formate	-10.1	-22.7c	27.3	32.4	-3.8	48.5	51.1	32.5	30.6	42.7	34.2	45.6
Lactate	4.1	10.3	17.8c	13.2	4.1	20.7	19.9	28.1	29.4	24.0	26.8	36.5

Percentage difference was calculated based on the mean values of relative signal integrals in each group. The calculations were made from left to right, e.g., a positive value in IBD active vs Control means that a particular metabolite exhibits higher concentration in patients with active IBD compared to the Control group,

^aP < 0.05 using the Student's t test,

^cP < 0.05 using the Mann-Whitney-Wilcoxon test. CD: Crohn’s disease; UC: Ulcerative colitis; IBD: Inflammatory bowel diseases; LDL: Low-density lipoproteins; VLDL: Very low-density lipoproteins; PC: Phosphocholine; GPC: Glycerophosphocholine; Unk1: Unknown metabolite.