Urinary metabolic insights into host-gut microbial interactions in healthy and IBD children

Table 1 Urinary metabolite overview in healthy and inflammatory bowel disease children at baseline

Metabolites	Healthy	IBD baseline	P value
2-hydroxybutyric acid	324.2 ± 228.5	401.9 ± 306.8	0.335
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	85.1 ± 242.2	240.6 ± 488.6	0.168
3-aminoisobutanoic acid	7278 ± 8267.9	12302.4 ± 15388.8	0.166
3-hydroxyisovaleric acid	12675.2 ± 14366.2	13929.9 ± 6198.6	0.722
3-hydroxyphenylacetic acid	6618.8 ± 7906.4	3579.7 ± 4269.6	0.134
3-methyl-2-oxovaleric acid	12049.5 ± 5596.6	13764.2 ± 4303.2	0.269
4-hydroxybenzoic acid	1659.4 ± 835.8	1660.6 ± 735.9	0.996
4-hydroxycinnamic acid	1749 ± 2142.3	4655.3 ± 5127.8	0.013
Adipic acid	5757.5 ± 3488.3	6806.6 ± 6403.6	0.485
Alpha-hydroxyisobutyric acid	7514.4 ± 4562.7	10645.1 ± 5098.4	0.036
Aminoadipic acid	23462.2 ± 13757.6	24927 ± 13309.2	0.722
Beta-alanine	3554.8 ± 2690.1	3730.4 ± 2705.5	0.830
Butyric acid	594 ± 329.1	754.4 ± 551	0.230
Caproic acid	337.3 ± 393.0	423.4 ± 412.3	0.480
Caprylic acid	113.7 ± 233.6	114.2 ± 335.3	0.996
Cis-aconitic acid	126743 ± 94692.1	217610 ± 154442.2	0.019
Citraconic acid	1487.4 ± 719.3	1877.1 ± 529.1	0.051
Citramalic acid	13454 ± 11088.9	29200.5 ± 23835.6	0.005
Citric acid	1521627.7 ± 1117692.9	2010896.5 ± 1470323.3	0.211
Dodecanoic acid	76 ± 118.3	95.1 ± 230.1	0.718
Dopamine	25594.1 ± 15600.7	46132.8 ± 4070.5	0.000
Ethylmethylacetic acid	354.4 ± 161.6	300 ± 108.3	0.208
Fumaric acid	4447.5 ± 5258.8	8002.2 ± 5704.2	0.036
Gamma-aminobutyric acid	8011.9 ± 2433.5	9501.4 ± 2144.3	0.038
Glutaric acid	6350.9 ± 2956.9	8011.9 ± 3153	0.077
Glyceric acid	24294.2 ± 44555.4	34244.8 ± 54085.6	0.503
Glycine	90591.2 ± 73998.7	150330 ± 121868.4	0.048
Glycolic acid	85357.2 ± 57207.8	98641.7 ± 50868.8	0.424
Hippuric acid	579641.8 ± 409879.0	435904.9 ± 374381.5	0.234
Homogentisic acid	395731.6 ± 236443.5	706581.6 ± 61533.7	0.000
Indoleacetic acid	58737.6 ± 40343.9	107584.7 ± 107498.1	0.040
Isocitric acid	418285.5 ± 291898.4	767013.4 ± 476267.9	0.004
Isovaleric acid	96.7 ± 125.3	53.8 ± 103.4	0.228
Itaconic acid	7961.3 ± 6523.3	12949.6 ± 11408.9	0.071
L-2-hydroxyglutaric acid	14028.4 ± 7911.3	25645.4 ± 16050.4	0.003
L-alanine	26378.1 ± 18928.9	36445.6 ± 16618.3	0.070
L-alpha-aminobutyric acid	1777.6 ± 1093.0	1826.9 ± 1158.2	0.885
L-asparagine	16684.8 ± 15672.4	25642.5 ± 14904.9	0.059
L-aspartic acid	2801.2 ± 833.5	3708.1 ± 1242	0.005
L-cysteine	7833.5 ± 5012.7	12771 ± 4681.6	0.002
L-glutamic acid	18551.2 ± 13284.8	29044.7 ± 18203.4	0.030
L-histidine	300484.2 ± 313800.2	328182 ± 163648.8	0.726
L-isoleucine	1874.2 ± 954.0	3149.4 ± 1492.8	0.001
L-leucine	4028.1 ± 3120.4	5677.4 ± 4266.7	0.141
L-lysine	38409.7 ± 46071.6	46194.7 ± 36720.6	0.545
L-methionine	1236.4 ± 696.3	2195.1 ± 1206.4	0.002
L-phenylalanine	18545.8 ± 14394.6	26167 ± 13952.9	0.082
L-proline	1131.5 ± 512.2	2020.9 ± 1099.8	0.001
L-tryptophan	26500.2 ± 13737.3	33639.1 ± 12697.3	0.082
L-tyrosine	63971.6 ± 55716.2	84163.3 ± 63553.6	0.264
L-valine	4892.5 ± 2641.4	7343.2 ± 3296.4	0.008
Malonic acid	493 ± 486.4	663.3 ± 547.4	0.277
Methylsuccinic acid	1655.6 ± 861.4	2484.1 ± 1188.1	0.009
N-acetyltryptophan	82232.1 ± 58726.0	112567.4 ± 56382.5	0.088
Nicotinic acid	1293.3 ± 1311.8	2104.1 ± 1204	0.039
Ornithine	7948.8 ± 2592.9	11968.9 ± 4307.9	0.000
Ortho-hydroxyphenylacetic acid	1265.1 ± 770.7	1915.5 ± 1233.6	0.035
Oxoglutaric acid	23844.7 ± 20947.4	34260.9 ± 33676.2	0.209
Phenol	266.1 ± 168.1	282 ± 165.2	0.753
Phenylacetic acid	3055.4 ± 2506.3	5635.2 ± 5749.6	0.048
Phenyllactic acid	729.1 ± 1365.9	2726.7 ± 2958.9	0.004
P-hydroxyphenylacetic acid	8991.4 ± 5587.6	16438.3 ± 9973.0	0.003
Pimelic acid	2203 ± 1453.7	3343.5 ± 1728.2	0.021
Pyroglutamic acid	39396.7 ± 14482.8	52204.6 ± 19506.9	0.015
Salicyluric acid	3342.8 ± 1712.7	4135.9 ± 1498.5	0.112
Suberic acid	8538.8 ± 5594.7	12987.5 ± 5378.1	0.010
Succinic acid	23748.9 ± 18864.3	34383.7 ± 30189.9	0.154
Tartaric acid	5156.1 ± 9387.3	11376.5 ± 27499.5	0.291
Vanillic acid	2838.1 ± 5734.4	3091.8 ± 3028.7	0.861
12_ketoLCA	11.5 ± 2.4	13.5 ± 4.5	0.072
3_DHCA	13.4 ± 11.9	17 ± 15.7	0.396
7_DHCA	145.5 ± 276.1	267.1 ± 439.7	0.267
7_ketoLCA	10.9 ± 2.9	13.6 ± 7.2	0.093
Beta-CA	12.9 ± 10.4	26.1 ± 27.0	0.029
Beta-UCA	42.1 ± 93.8	114.8 ± 168.0	0.074
CA	182.3 ± 237.0	266 ± 322.5	0.327
CDCA	21.9 ± 9.7	24.9 ± 11.2	0.346
CDCA_24GLN	79.6 ± 49.1	168 ± 151.2	0.008
CDCA_3GLN	64.1 ± 45.2	149.1 ± 105.5	0.001
DCA	45.2 ± 28.7	40.2 ± 31.0	0.588
GCA	84.4 ± 43.2	151.8 ± 162.6	0.051
GCDCA	39.8 ± 20.6	51.3 ± 25.1	0.105
GDCA	34.5 ± 33.4	30.4 ± 15.9	0.627
GHCA	36.7 ± 17.6	49.4 ± 41.5	0.171
GHDCA	14.4 ± 2.6	12.3 ± 0.6	0.002
GLCA	8.4 ± 5.7	4.8 ± 4.2	0.026
GUDCA	15.5 ± 17.5	39.5 ± 47.9	0.025
HCA	10.3 ± 1.5	10.5 ± 1.5	0.768
HDCA	17.1 ± 35.3	15.2 ± 10.2	0.820
LCA	19.1 ± 6.6	22.4 ± 32.6	0.621
LCA_S	22.5 ± 11.9	22.6 ± 22.2	0.989
NORCA	154.3 ± 116.0	181.4 ± 133.4	0.476
NORDCA	9.2 ± 1.5	9.3 ± 0.4	0.679
TCA	24.6 ± 8.2	26 ± 11.9	0.652
TCDCA	23.4 ± 7.7	23.4 ± 5.6	0.99
THCA	13.7 ± 3.0	18.4 ± 11.4	0.052
TUDCA	8.2 ± 1.6	9 ± 1.2	0.099
UCA	108.2 ± 135.4	268.4 ± 310.0	0.024
UDCA	11.6 ± 1.4	13.1 ± 2.0	0.008

Metabolite data are reported as mean ± SD of their urinary concentrations, in ng/mL for GC-MS metabolites, and nmol/L for the bile acids. P value from standard t-test is reported as a qualitative indicator for metabolic variations between the two groups of children. 12-KetoLCA: 12-ketolithocholic acid; 3_DHCA: 3-dehydrocholic acid; 7_DHCA: 7-dehydrocholic acid; 7_KetoLCA: 7-ketolithocholic acid; 3βCA: 3β-Cholic acid; βUCA: β-ursocholic acid; CA: Cholic acid; CDCA: Chenodeoxycholic acid; CDCA_24GLN: Chenodeoxycholic acid 24-Acyl-β-D-glucuronide; CDCA_3GLN: Chenodeoxycholic acid-3-β-D-glucuronide; DCA: Deoxycholic acid; GCA: Glycocholic acid; GCDCA: Glycochenodeoxycholic acid; GDCA: Glycodeoxycholic acid; GHCA: Glycohyocholate; GHDCA: Glycohyodeoxycholate; GLCA: Glycolithocholate; GUDCA: Glycoursodeoxycholic acid; HCA: γ-muricholic acid/hyocholic acid; HDCA: α-hyodeoxycholic acid; LCA: Lithocholic acid; LCA_S: Lithocholic acid 3 sulfate; NORCA: Nor cholic acid; NORDCA: 3α,12α-dihydroxynorcholanate/23-nordeoxycholic acid; TCA: Taurocholic acid; TCDCA: Taurochenodeoxycholic acid; THCA: Taurohyocholate; TUDCA: Tauroursodeoxycholic acid; UCA: Ursocholic acid; UDCA: Ursodeoxycholic acid.