. 2010 Aug 31;4(8):e807. doi: 10.1371/journal.pntd.0000807

Table 3. Urinary metabolites with significant contributions to the discrimination between non-infected and S. japonicum-infected mice.

Metabolites (key)	Chemical shift (ppm)	R²X = 0.31	R²X = 0.36	R²X = 0.42	R²X = 0.30	R²X = 0.47
		Q² = 0.53	Q² = 0.46	Q² = 0.56	Q² = 0.60	Q² = 0.89
		inf vs con	inf vs con	inf vs con	light vs con	heavy vs con
		3weeks p.i.	4weeks p.i.	5weeks p.i.	5weeks p.i.	5weeks p.i.
2-(4-hydroxyphenyl) propanoic acid	1.37, 3.57, 6.89, 7.20			−0.83		−0.9
2-Oxoglutarate	2.45, 3.01	−0.63^†	−0.39
2-hydroxyisobutyrate	1.36		−0.6	−0.77		−0.66
2-keto-3-methyl-valerate	1.10	+0.47	+0.49	+0.45		+0.52
2-keto-isocaproate	0.94, 2.1, 2.61		+0.42
2-keto-isovalerate	1.13	+0.46	+0.62	+0.67		+0.72
3-Ureidopropionate	2.38	+0.46	+0.55	+0.86	+0.83	+0.93
4-cresol glucuronide	2.29, 7.06, 7.23		+0.60	+0.72	+0.8	+0.64
Acetate	1.92			−0.48
Adipate	1.57, 2.20	−0.81	−0.68	−0.91	−0.75	−0.94
Citrate	2.56, 2.72	−0.68		−0.64		−0.8
Creatine	3.03,3.93	+0.4	−0.45	+0.66		+0.84
Dimethylamine	2.71		+0.61	+0.79	+0.58	+0.82
Fumarate	6.53		−0.51	−0.72		−0.62
Glycine	3.55			+0.5	+0.56	+0.52
Hippurate	7.55, 7.84			−0.73		−0.82
Indoxylsulfate	7.21, 7.27			+0.64	+0.8	+0.6
Lactate	1.33		+0.51
Malonate	3.12			+0.49		+0.55
N-acetyl-glycoprotein	2.02	+0.7	+0.52	+0.76		+0.65
PAG	3.68 3.75,7.37, 7.43	+0.67	+0.54	+0.76	+0.9	+0.77
Pyruvate	2.34		+0.7	+0.77	+0.81	+0.72
Succinate	2.41	−0.41	−0.52	−0.39
Taurine	3.27, 3.43	+0.48	−0.46	−0.51
Trimethylamine	2.88	+0.5	+0.38	+0.73	+0.85	+0.83
TMAO	3.27	+0.53		+0.48		+0.59
Unknown 2	1.78		+0.55	+0.69		+0.78
Unknown 3	1.08			+0.65		+0.76

†Numbers are correlation coefficients obtained from O-PLS-DA.

+ indicates an increase in the concentration of metabolites in the infected group.

− indicates a decrease in the concentration of metabolites in the infected group.

p.i. stands for post-infection.