Table 2.

Fourteen lab-confirmed metabolites that comprised the enriched metabolic pathways that differentiated subtypes A and B.

Name	mz	rt	ESI	Adduct	HMDB#	Z-Score * A	Z-Score * B	p-Value **
Fatty acid biosynthesis (p = 0.004)
Acetoacetate	101.0244	25	C18-	(M − H)	HMDB0000060	0.53	−0.37	2.0 × 10−9
β-hydroxybutyrate	103.0401	22	C18-	(M − H)	HMDB0000357	0.43	−0.30	4.3 × 10−6
FA 16:0 (Palmitate)	255.2329	231	C18-	(M − H)	HMDB00220	0.38	−0.27	4.6 × 10−6
FA 14:0 (Myristate)	227.2016	212	C18-	(M − H)	HMDB00806	0.38	−0.27	7.1 × 10−6
Transfer of acetyl groups into the mitochondria (p = 0.03)
Glucose	215.0328	21	C18-	(M + Cl)	HMDB0000122	0.40	−0.28	3.1 × 10−6
Citric acid	191.0197	19	C18-	(M − H)	HMDB0000094	0.41	−0.28	7.5 × 10−6
Malic acid	133.0143	20	C18-	(M − H)	HMDB0000156	0.37	−0.26	7.6 × 10−6
Arginine and Proline metabolism (p = 0.06)
S-adenosylmethionine	399.1445	162	HILIC+	(M + H)	HMDB0001185	0.47	−0.33	1.6 × 10−9
Proline	116.0706	87	HILIC+	(M + H)	HMDB0000162	0.49	−0.35	8.3 × 10−8
Ornithine	133.0972	125	HILIC+	(M + H)	HMDB0000214	0.45	−0.32	5.1 × 10−7
Citrulline	176.103	109	HILIC+	(M + H)	HMDB0000904	0.40	−0.28	8.4 × 10−7
Guanidinoacetate	118.0617	89	HILIC+	(M + H)	HMDB0000128	0.41	−0.29	8.8 × 10−7
Galactose metabolism (p = 0.07)
Fructose	219.0265	73	HILIC+	(M + K)	HMDB0000660	0.60	−0.42	3.6 × 10−11
Galactose	203.0526	71	HILIC+	(M + Na)	HMDB0000143	0.59	−0.41	3.6 × 10−11
Glucose	215.0328	21	C18-	(M + Cl)	HMDB0000122	0.40	−0.28	3.1 × 10−6

The mz = mass-to-charge ratio, rt = retention time, ESI = electrospray ionization method, FA = fatty acid, HMDB = human metabolome database. * Z-scores were calculated by subtracting the metabolite-specific population mean and dividing by the standard deviation. ** Wilcoxon rank sum p-values adjusted for multiple testing via the Benjamini–Hochberg method.