Table 2.

Analyses of metabolomic differences between multiple sclerosis (MS) and healthy controls (HCs) for individual metabolites with FDR-adjusted p < 0.05

Metabolite	Metabolite pathway	HMDB IDa	Metabolite modulea	Mean difference between MS versus HC (95% CI)b	p	FDR-adjusted p
Phenyllactate (PLA)	phenylalanine metabolism	HMDB00779	pink	−6.54 (−7.93 to −5.15)	3.16E−20	8.49E−18
3-(4-Hydroxyphenyl)lactate	tyrosine metabolism	HMDB00755	pink	−6.19 (−7.62 to −4.76)	1.73E−17	4.63E−15
Indolelactate	tryptophan metabolism	HMDB00671	pink	−5.76 (−7.19 to −4.33)	2.61E−15	6.97E−13
Tryptophan	tryptophan metabolism	HMDB00929	brown	−4.51 (−5.87 to −3.15)	7.21E−11	1.92E−8
Imidazole lactate	histidine metabolism	HMDB02320	pink	−4.82 (−6.28 to −3.35)	1.12E−10	2.98E−8
4-Hydroxyphenylpyruvate	tyrosine metabolism	HMDB00707	brown	−4.47 (−5.89 to −3.06)	5.89E−10	1.55E−7
α-Hydroxyisocaproate	leucine, isoleucine, and valine metabolism	HMDB00746	pink	−4.29 (−5.74 to −2.85)	6.22E−9	1.64E−6
Asparagine	alanine and aspartate metabolism	HMDB00168	brown	−4.42 (−5.93 to −2.90)	1.03E−8	2.70E−6
Methionine	methionine, cysteine, S-adenosyl methionine (SAM), and taurine metabolism	HMDB00696	brown	−3.97 (−5.36 to −2.59)	1.86E−8	4.86E−6
N-Acetylcarnosine	dipeptide derivative	HMDB12881	pink	−3.83 (−5.18 to −2.49)	2.36E−8	6.13E−6
2-Hydroxy-3-methylvalerate	leucine, isoleucine, and valine metabolism	HMDB00317	pink	−3.98 (−5.51 to −2.46)	3.03E−7	7.85E−5
Tyrosine	tyrosine metabolism	HMDB00158	brown	−3.51 (−4.89 to −2.12)	7.25E−7	1.87E−4
Choline phosphate	phospholipid metabolism	HMDB01565	gray	−3.42 (−4.80 to −2.04)	1.20E−6	3.07E−4
N-Acetylleucine	leucine, isoleucine, and valine metabolism	HMDB11756	green-yellow	−3.35 (−4.75 to −1.95)	2.60E−6	6.67E−4
Catechol sulfate	benzoate metabolism	HMDB59724	turquoise	−3.36 (−4.77 to −1.95)	2.98E−6	7.59E−4
Histidine	histidine metabolism	HMDB00177	brown	−3.15 (−4.51 to −1.80)	5.07E−6	1.29E−3
Phenylpyruvate	phenylalanine metabolism	HMDB00205	pink	−3.24 (−4.64 to −1.84)	5.71E−6	1.45E−3
N-(2-Furoyl)glycine	food component/plant	HMDB00439	turquoise	−3.38 (−4.87 to −1.89)	8.84E−6	2.23E−3
Isovalerylcarnitine (C5)	leucine, isoleucine, and valine metabolism	HMDB00688	red	−3.13 (−4.55 to −1.70)	1.71E−5	4.29E−3
Glucuronate	aminosugar metabolism	HMDB00127	gray	2.82 (1.53–4.11)	1.89E−5	4.73E−3
Theobromine	xanthine metabolism	HMDB02825	gray	−2.80 (−4.09 to −1.51)	2.06E−5	5.12E−3
Hippurate	benzoate metabolism	HMDB00714	turquoise	−3.06 (−4.47 to −1.65)	2.12E−5	5.26E−3
O-Methylcatechol sulfate	benzoate metabolism	HMDB60013	turquoise	−2.99 (−4.40 to −1.57)	3.60E−5	8.90E−3
Tiglylcarnitine (C5:1-DC)	leucine, isoleucine, and valine metabolism	HMDB02366	red	−3.12 (−4.61 to −1.64)	3.66E−5	9.00E−3
3-Hydroxybutyrate (BHBA)	ketone bodies	HMDB00357	blue	2.82 (1.47–4.16)	3.92E−5	9.60E−3
2-Methylbutyrylcarnitine (C5)	leucine, isoleucine and valine metabolism	HMDB00378	red	−3.03 (−4.49 to −1.58)	4.52E−5	1.10E−2
N-Palmitoylglycine	fatty acid metabolism (acyl glycine)	HMDB13034	blue	2.92 (1.48–4.37)	7.22E−5	1.75E−2
Betaine	glycine, serine, and threonine metabolism	HMDB00043	gray	−2.87 (−4.33 to −1.40)	1.22E−4	2.95E−2
p-Cresol-glucuronide∗	tyrosine metabolism	HMDB11686	purple	2.80 (1.36–4.23)	1.32E−4	3.18E−2
3-Methyl catechol sulfate (1)	benzoate metabolism	HMDB0240662	turquoise	−2.77 (−4.21 to −1.32)	1.72E−4	4.13E−2
N-Acetyltyrosine	tyrosine metabolism	HMDB00866	green-yellow	−2.73 (−4.15 to −1.30)	1.81E−4	4.33E−2
Xanthurenate	tryptophan metabolism	HMDB00881	pink	−2.82 (−4.30 to −1.34)	1.89E−4	4.51E−2

^aHMDB, Human Metabolite Database identifier. Metabolite module denotes the WGCNA module in which the metabolite falls.

^bMean differences are adjusted for age, gender, and race; values displayed denote mean differences per SD in metabolite levels.