Table 2.

Metabolite modules that differ between healthy controls and MS patients at baseline

Module	Metabolite	MMa Score	Comparisons of adjusted metabolite level (HC vs. RRMS)
			Mean difference	95% CI	P‐value for differenceb
Magenta	Glutathione metabolism
	5‐oxoproline	0.90	−0.65	−1.26, −0.03	0.039
	cysteinyl glycine – oxidized	0.65	−0.29	−0.93, 0.34	0.35
	cysteinyl glycine	0.64	−0.51	−1.14, 0.12	0.11
	Sphingolipid metabolism
	sphingosine‐1‐phosphate	0.88	−1.0	−1.61, −0.49	6.14 × 10−4
	sphinganine‐1‐phosphate	0.74	−1.32	−1.81, −0.82	7.22 × 10−6
	sphingosine	0.70	−1.2	−1.72, −0.66	7.22 × 10−5
	Urea cycle
	ornithine	0.72	−0.58	−1.18, 0.02	0.06
	thyroxine	0.69	−0.58	−1.22, 0.083	0.08
	Glycolysis
	pyruvate	0.85	−0.58	−1.22, 0.06	0.07
	lactate	0.83	−0.70	−1.32, −0.08	0.027
Yellow	Nucleotide metabolism
	N1‐methylinosine	0.85	−0.91	−1.51, −0.3	0.004
	N6‐carbamoylthreonyladenosine	0.85	−0.98	−1.58, −0.39	0.002
	N2,N2 dimethylguanosine	0.82	−0.86	−1.47, −0.26	0.006
	N1‐methyladenosine	0.79	−0.59	−1.24, 0.06	0.07
	Xanthine	0.65	−0.57	−1.22, 0.08	0.08
	hypoxanthine	0.59	−0.34	−1.02, 0.33	0.30
	pseudouridine	0.77	−0.80	−1.41, −0.18	0.01
	orotidine	0.74	−0.65	−1.29, −0.01	0.045
	N4‐acetylcytidine	0.62	−0.65	−1.28, −0.03	0.04
	5,6 dihydrothymine	0.58	−0.48	−1.12, 0.17	0.14
	Methionine & cysteine metabolism
	N‐formylmethionine	0.72	−0.30	−0.98, 0.38	0.37
	N‐acetylmethionine	0.60	−0.69	−1.29, 0.09	0.025
	Tryptophan metabolism
	C‐glycosyl tryptophan	0.84	−0.76	−1.38, −0.14	0.017
	kynurenine	0.72	−0.34	−1.01, 0.33	0.3
	Alanine metabolism
	N‐acetylalanine	0.87	−0.69	−1.31, −0.07	0.03
	Glutamate metabolism
	gamma‐glutamyl glutamate	0.61	−0.17	−0.84, 0.51	0.62
	Amino sugar metabolism
	N‐acetylglucosaminyl asparagine	0.58	−0.93	−1.52, −0.34	0.003
	Serine & threonine metabolism
	N‐acetylserine	0.71	−0.65	−1.27, −0.03	0.04
	N‐acetylthreonine	0.64	−0.41	−1.07, 0.25	0.21
	Fatty acid
	2 aminoheptanoate	0.62	−0.03	−0.71, 0.65	0.93

^aMM (module‐membership). We defined module membership scores as the correlation of individual metabolites with eigen‐metabolite for the “Magenta” module as a metric to define “hub” metabolites. Metabolites displayed have >median among total metabolite module scores. Complete list of metabolites in Table S1.

The P‐value is derived from unpaired two‐tailed t‐tests using metabolite concentrations adjusted for age and sex.