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. 2018 Apr 30;12(4):e0006452. doi: 10.1371/journal.pntd.0006452

Table 2. Identified human metabolites strongly associated with different categories of urogenitalschistosomiasis (fdr<0.05, delta>2, VIP score >1.5).

Metabolite/ Retention Time (min) Putative Identity Abundance in Fold increase (compared to other groups) Biochemical pathway Ionisation; Sample
269.1900/9.4; 287.2002/9.4 Estrogen/Androgen precursors Control 2.3–2.4 steroid biosynthesis &degradation Positive;urine
383.2063/11.1 TLB Control 2.5 lipid metabolism Positive;urine
209.0662/1.4 Fucosylated sugar Control <2–2.8 Fructose and mannose metabolism Negative;plasma
367.1588/10.2 modified estradiol/Testosterone Advanced <2–2.3 steroid hormone synthesis Negative;plasma
180.0655/7.1 Adrenochrome O-quinone Infection-only 2.1–3.3 Parasite-modified host metabolite Positive;plasma
267.0741/9.2 Indolylacryloylglycine Advanced/Infection-only 2.5 Tryptophan metabolism Positive;urine
785.5880/16.7 N-Glycoloylganglioside GM2 Advanced 3.4–5.5 sphingolipid metabolism Positive;plasma
807.5723/17.1 Phosphatidylcholine (PC) Advanced 2.2–4.3 Choline metabolism in cancer/glycerophospholipid metabolism Positive;plasma
806.5689/17.1 Phosphatidylethanolamine (PE Advanced <2–3.3 Choline metabolism in cancer/glycerophospholipid metabolism Positive;plasma
512.2999/13.6 LysoPC(14:0)/1HGPE Advanced 2.0–2.8 Choline metabolism in cancer/glycerophospholipid metabolism Negative;plasma
180.0541/7.6 3-Succinoylpyridine Infection only 2.9–4.0 Parasite-modified host metabolite Negative;plasma

Metabolite identification was through accurate mass, spectral library match, retention time, adduct/isotope combinations and biological context. Advanced—urogenital schistosomiasis induced-pathology cases; Infection-only–urogenital schistosomiasis alone, Pathology-only—pathology with no detectable urogenital schistosomiasis; Control–no infection or pathology. HGPE—1-Heptadecanoylglycerophosphoethanolamine; TLB—12-Oxo-20-trihydroxy-leukotriene B4.