Characterization of gut microbial and metabolite alterations in faeces of Goto Kakizaki rats using metagenomic and untargeted metabolomic approach

Table 1 Potential metabolism biomarkers identified

Metabolite	Class	KEGG compound ID	Mass M/Z	Mode	Formula	Retention time (min)	Change trend (model/control)
Glycochenodeoxycholic acid	Bile acids	C05466	414.2993	Pos	C26H43NO5	5.333	Down
Uric acid	Benzenoids	C00366	169.0355	Pos	C5H4N4O3	1.3882	Up
Glutathione	Amino acids	C00051	371.1005	Pos	C10H17N3O6S	1.0579	Up
Glycocholic acid	Bile acids	C01921	446.2898	Neg	C26H43NO6	5.3482	Down
Β-sitostenone	Steroid	C00014	413.3772	Pos	C29H48O	9.9336	Up
Allantoic acid	Amino acids	C00499	175.0461	Neg	C4H8N4O4	0.6403	Up
N-acetylaspartate	Amino acids	C01042	174.0396	Neg	C6H9NO5	1.1621	Up
N-acetyl-l-glutamic acid	Amino acids	C00624	188.0553	Neg	C7H11NO5	1.4766	Up
Sphinganine	Amines	C00836	302.3045	Pos	C18H39NO2	6.9062	Up
4-pyridoxic acid	Pyridine carboxylic acids and derivatives	C00847	184.0604	Pos	C8H9NO4	1.6417	Up
2-methyl-3-hydroxy-5-formylpyridine-4-carboxylate	Pyridine carboxylic acids and derivatives	C06050	180.029	Neg	C8H7NO4	2.2041	Up
13(s)-HODE	Fatty acids	C14762	279.2311	Pos	C18H32O3	7.4255	Up
Linoleic acid	Linoleic acids and derivatives	C01595	281.2469	Pos	C18H32O2	8.1846	Up
3-α, 7-α, 26-trihydroxy-5-β-cholestane	Bile acids	C05444	419.3521	Neg	C27H48O3	8.5577	Down

Table 2 Metabolism pathway enrichment analysis

Pathway name	Match status	P value	-log (p)	Impact	Pathway level
Arginine biosynthesis	2/14	0.0055854	2.2529	0.19797	Amino acid metabolism
Primary bile acid biosynthesis	3/46	0.0056824	2.2455	0.05721	Lipid metabolism
Purine metabolism	3/65	0.014896	1.8269	0.0	Nucleotide metabolism
Alanine, aspartate and glutamate metabolism	2/28	0.021712	1.6633	0.09776	Amino acid metabolism
Linoleic acid metabolism	1/5	0.04129	1.3842	1.0	Lipid metabolism
Nitrogen metabolism	1/6	0.049357	1.3066	1.0	Energy metabolism
Vitamin B6 metabolism	1/9	0.073183	1.1356	0.0	Metabolism of cofactors and vitamins
Glutathione metabolism	1/28	0.21173	0.67421	0.25596	Metabolism of other amino acids
Glyoxylate and dicarboxylate metabolism	1/32	0.23835	0.62279	0.0	Carbohydrate metabolism
Glycine, serine and threonine metabolism	1/33	0.24487	0.61107	0.00245	Amino acid metabolism
Biosynthesis of unsaturated fatty acids	1/36	0.26413	0.57818	0.0	Lipid metabolism