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. 2016 Dec 28;105(2):450–465. doi: 10.3945/ajcn.116.144501

TABLE 5.

Fasting baseline serum metabolites associated with the components used to score the HEI-2010 (chemically identified metabolites; Bonferroni correction and r > |0.15|) in men in the Alpha-Tocopherol, Beta-Carotene Cancer Prevention Study1

HEI-2010 components and metabolites Superpathway Subpathway r P2
Total vegetables
 Ergothioneine Xenobiotics Food component or plant 0.19 7.09 × 10−12
 Oxalate (ethanedioate) Carb; C/V Glyoxylate/dicarboxylate; ascorbate/aldarate 0.16 1.62 × 10−7
 N-δ-acetylornithine Amino acid Urea cycle; arginine/proline 0.15 2.60 × 10−8
 Threonate C/V Ascorbate/aldarate 0.15 8.98 × 10−8
Total fruit
 Methyl-β-glucopyranoside Carb Fructose, mannose, galactose, starch, sucrose 0.26 4.27 × 10−10
 Oxalate (ethanedioate) Carb; C/V Glyoxylate/dicarboxylate; ascorbate/aldarate 0.24 7.44 × 10−15
 Scyllo-inositol Lipid Inositol 0.22 2.46 × 10−7
 Stachydrine Xenobiotics Food component or plant 0.22 3.33 × 10−16
 Threonate C/V Ascorbate/aldarate 0.22 7.77 × 10−16
 Glycerate Carb Glycolysis, gluconeogenesis, pyruvate 0.19 5.48 × 10−12
 N-methylproline or N-methyl proline Amino acid Urea cycle; arginine/proline 0.18 9.74 × 10−10
 Threitol Carb Pentose 0.17 1.13 × 10−9
 Xylonate Carb Pentose 0.17 2.00 × 10−9
 Ascorbate (vitamin C) C/V Ascorbate/aldarate 0.15 2.99 × 10−7
Whole fruit
 Oxalate (ethanedioate) Carb; C/V Glyoxylate/dicarboxylate; ascorbate/aldarate 0.21 5.50 × 10−12
 Threonate C/V Ascorbate/aldarate 0.20 9.05 × 10−13
 Stachydrine Xenobiotics Food component or plant 0.19 5.35 × 10−12
 Threitol Carb Pentose 0.18 1.57 × 10−10
 Glycerate Carb Glycolysis, gluconeogenesis, pyruvate 0.17 1.46 × 10−9
 N-methylproline or N-methyl proline Amino acid Urea cycle; arginine/proline 0.16 1.50 × 10−7
 Xylonate Carb Pentose 0.16 3.42 × 10−9
Whole grain
 Homostachydrine Xenobiotics Food component or plant 0.31 <1.00 × 10−16
 2-Aminophenol sulfate Xenobiotics Chemical 0.21 9.35 × 10−14
Dairy
 Galactonate Carb Fructose, mannose, galactose, starch, sucrose 0.29 4.73 × 10−11
 Myristoyl sphingomyelin Lipid Sphingolipid 0.25 1.18 × 10−8
 2-Aminoheptanoate or 2-aminoheptanoic acid Lipid MCFA; FA, amino −0.22 7.59 × 10−11
 cis-4-Decenoyl carnitine Lipid Carnitine −0.19 5.18 × 10−12
 Ergothioneine Xenobiotics Food component or plant −0.18 2.78 × 10−11
 Acisoga Amino acid Polyamine −0.17 6.46 × 10−10
 3-Carboxy-4-methyl-5-propyl-2-furanpropanoate Lipid FA, dicarboxylate −0.16 2.12 × 10−9
 Riboflavin (vitamin B-2) C/V Riboflavin 0.16 1.49 × 10−8
 S-methylcysteine Amino acid Cysteine, methionine, sam, taurine −0.16 2.22 × 10−9
Protein foods
 Ergothioneine Xenobiotics Food component or plant 0.22 8.88 × 10−16
 N-acetyl-3-methylhistidine Amino acid Histidine 0.17 1.41 × 10−9
 trans-4-Hydroxyproline Amino acid Urea cycle; arginine/proline 0.17 2.34 × 10−10
 3-Methylhistidine Amino acid Histidine 0.17 8.13 × 10−10
 3-Carboxy-4-methyl-5-propyl-2-furanpropanoate Lipid FA, dicarboxylate 0.16 4.15 × 10−9
 DHA (22:6n–3) Lipid Essential FA; PUFA (n–3 and n–6) 0.15 9.50 × 10−8
 Pyroglutamine Amino acid Glutamate −0.15 2.42 × 10−8
Seafood and plant protein foods
 3-Carboxy-4-methyl-5-propyl-2-furanpropanoate Lipid FA, dicarboxylate 0.34 <1.00 × 10−16
 Palmitoyl-oleoyl-glycerophosphoglycerol (2) Lipid Lysolipid 0.32 1.08 × 10−12
 DHA (22:6n–3) Lipid Essential FA; PUFA (n–3 and n–6) 0.30 <1.00 × 10−16
 1-Docosahexaenoylglycerol (1-monodocosahexaenoin) Lipid Monoacylglycerol 0.30 3.78 × 10−11
 EPA (20:5n–3) Lipid Essential FA; PUFA (n–3 and n–6) 0.28 <1.00 × 10−16
 Stearidonate (18:4n–3) Lipid LCFA; PUFA (n–3 and n–6) 0.19 1.77 × 10−11
 Docosapentaenoate (22:5n–3) Lipid Essential FA; PUFA (n–3 and n–6) 0.18 2.11 × 10−11
 1-Docosahexaenoylglycerophosphocholine (22:6n–3) Lipid Lysolipid 0.18 1.54 × 10−7
 N-acetyl-3-methylhistidine Amino acid Histidine 0.16 1.34 × 10−8
 3-Methylhistidine Amino acid Histidine 0.16 3.22 × 10−9
 Creatine Amino acid Creatine 0.15 1.38 × 10−7
 Ergothioneine Xenobiotics Food component or plant 0.15 2.80 × 10−8
 Pyroglutamine Amino acid Glutamate −0.15 3.53 × 10−8
Ratio of unsaturated to saturated fat
 cis-4-Decenoyl carnitine Lipid Carnitine 0.41 <1.00 × 10−16
 γ-CEHC C/V Tocopherol 0.38 <1.00 × 10−16
 γ-CEHC glucuronide C/V Tocopherol 0.37 <1.00 × 10−16
 Linoleate (18:2n–6) Lipid Essential FA; PUFA (n–3 and n–6) 0.34 <1.00 × 10−16
 1-Myristoleoylglycerophosphocholine (14:1) Lipid Lysolipid −0.34 9.14 × 10−11
 Linoleoylcarnitine Lipid Carnitine 0.32 1.09 × 10−12
 Phytanate Xenobiotics Food component or plant −0.31 2.26 × 10−13
 Methyl palmitate (15 or 2) Lipid FA, branched −0.28 <1.00 × 10−16
 γ-Tocopherol C/V Tocopherol 0.27 <1.00 × 10−16
 1-Linoleoylglycerophosphoinositol Lipid Lysolipid 0.27 <1.00 × 10−16
 Mead acid (20:3n–9) Lipid LCFA; PUFA (n–3 and n–6) −0.26 8.51 × 10−10
 Myristoyl sphingomyelin Lipid Sphingolipid −0.26 4.87 × 10−9
 1-Linoleoylglycerol (1-monolinolein) Lipid Monoacylglycerol 0.24 <1.00 × 10−16
 Linolenate (α or γ 18:3n–3 or 18:3n–6) Lipid Essential FA; PUFA (n–3 and n–6) 0.23 1.11 × 10−16
 Palmitoyl-linoleoyl-glycerophosphocholine (1) Lipid Lysolipid 0.23 1.87 × 10−7
 Palmitoyl-linoleoyl-glycerophosphoinositol (1) Lipid Lysolipid 0.23 2.17 × 10−7
 Pentadecanoate (15:0) Lipid LCFA −0.23 1.11 × 10−16
 1-Palmitoleoylglycerophosphoethanolamine Lipid Lysolipid −0.23 2.33 × 10−11
 1-Palmitoleoylglycerophosphoinositol Lipid Lysolipid −0.23 9.81 × 10−11
 Palmitoyl-linoleoyl-glycerophosphocholine (2) Lipid Lysolipid 0.22 7.75 × 10−7
 17-Methylstearate Lipid FA, branched −0.22 3.33 × 10−15
 1-Pentadecanoylglycerol (1-monopentadecanoin) Lipid Monoacylglycerol −0.21 8.92 × 10−8
 Caprate (10:0) Lipid MCFA −0.20 1.39 × 10−13
 γ-Muricholate (hyocholate) Lipid Secondary bile acid 0.20 1.61 × 10−8
 Myristoleate (14:1n–5) Lipid LCFA −0.20 6.57 × 10−13
 13-Methylmyristic acid Lipid FA, branched −0.20 6.96 × 10−12
 1-Pentadecanoylglycerophosphocholine (15:0) Lipid Lysolipid −0.20 1.99 × 10−8
 3-Hydroxy-2-ethylpropionate Amino acid Valine, leucine/isoleucine −0.20 4.53 × 10−13
 10-Undecenoate (11:1n–1) Lipid MCFA −0.19 9.28 × 10−12
 2-Linoleoylglycerophosphocholine Lipid Lysolipid 0.19 6.28 × 10−8
 Dihomo-linoleate (20:2n–6) Lipid LCFA; PUFA (n–3 and n–6) 0.18 2.53 × 10−11
 Myristate (14:0) Lipid LCFA −0.18 1.16 × 10−10
 Campesterol Lipid Sterol or steroid 0.17 7.91 × 10−10
 10-Nonadecenoate (19:1n–9) Lipid LCFA −0.17 2.49 × 10−10
 α-CEHC sulfate (X-12435) C/V Tocopherol 0.16 6.18 × 10−7
 Docosadienoate (22:2n–6) Lipid LCFA; PUFA (n–3 and n–6) 0.16 9.88 × 10−9
 1-Linoleoylglycerophosphocholine (18:2n–6) Lipid Lysolipid 0.16 1.06 × 10−8
 1-Myristoylglycerol (1-monomyristin) Lipid Monoacylglycerol −0.16 7.18 × 10−9
 2-Linoleoylglycerol (2-monolinolein) Lipid Monoacylglycerol 0.16 7.09 × 10−9
 10-Heptadecenoate (17:1n–7) Lipid LCFA −0.15 7.21 × 10−8
Limit sodium
 1-Oleoylglycerophosphoinositol Lipid Lysolipid 0.15 2.74 × 10−8
Limit refined grains
 4-Androsten-3β,17β-diol disulfate (1) Lipid Sterol or steroid 0.22 3.33 × 10−16
 1-Palmitoleoylglycerophosphoinositol Lipid Lysolipid 0.19 6.15 × 10−8
 Ethyl glucuronide Xenobiotics Detoxification; chemical 0.18 8.35 × 10−11
 α-Hydroxyisovalerate Amino acid Valine, leucine/isoleucine 0.17 3.30 × 10−10
 Docosapentaenoate (22:5n–3) Lipid Essential FA; PUFA (n–3 and n–6) 0.15 9.38 × 10−8
 γ-CEHC C/V Tocopherol −0.15 3.58 × 10−8
 5α-Androstan-3β,17β-diol disulfate Lipid Sterol or steroid 0.15 3.39 × 10−8
Limit solid fats and added sugars
 1-Myristoleoylglycerophosphocholine (14:1) Lipid Lysolipid −0.29 4.17 × 10−8
 cis-4-Decenoyl carnitine Lipid Carnitine 0.27 <1.00 × 10−16
 Linoleoylcarnitine Lipid Carnitine 0.26 7.96 × 10−9
 Phytanate Xenobiotics Food component or plant −0.26 1.53 × 10−9
 Linoleate (18:2n–6) Lipid Essential FA; PUFA (n–3 and n–6) 0.25 <1.00 × 10−16
 Myristoyl sphingomyelin Lipid Sphingolipid −0.25 2.58 × 10−8
 γ-CEHC C/V Tocopherol 0.21 1.85 × 10−14
 3-Hydroxy-2-ethylpropionate Amino acid Valine, leucine/isoleucine −0.20 6.55 × 10−13
 Dihomo-linoleate (20:2n–6) Lipid LCFA; PUFA (n–3 and n–6) 0.19 1.51 × 10−12
 γ-CEHC glucuronide C/V Tocopherol 0.19 1.70 × 10−10
 Linolenate (α or γ 18:3n–3 or 18:3n–6) Lipid Essential FA; PUFA (n–3 and n–6) 0.19 1.15 × 10−11
 1-Linoleoylglycerol (1-monolinolein) Lipid Monoacylglycerol 0.19 9.38 × 10−12
 1-Palmitoleoylglycerophosphoethanolamine Lipid Lysolipid −0.19 9.61 × 10−8
 Methyl palmitate (15 or 2) Lipid FA, branched −0.18 2.06 × 10−11
 1-Linoleoylglycerophosphoinositol Lipid Lysolipid 0.18 2.20 × 10−11
 1-Pentadecanoylglycerophosphocholine (15:0) Lipid Lysolipid −0.18 1.99 × 10−7
 Pentadecanoate (15:0) Lipid LCFA −0.17 1.45 × 10−9
 13-Methylmyristic acid Lipid FA, branched −0.17 7.81 × 10−9
 Caprate (10:0) Lipid MCFA −0.15 2.88 × 10−8
 Docosadienoate (22:2n–6) Lipid LCFA; PUFA (n–3 and n–6) 0.15 7.65 × 10−8
 Ergothioneine Xenobiotics Food component or plant 0.15 3.43 × 10−8
 17-Methylstearate Lipid FA, branched −0.15 4.08 × 10−8
1

n = 1336. Full data (including unidentified metabolites) and metabolite identifying information can be found in the Human Metabolome Database (www.hmdb.ca). Metabolic super- and subpathways, mass, retention index, mass spectrometry platform, and other identifying information can be found in the Supplemental Materials. Carb, carbohydrate; CEHC, carboxyethyl-hydrochroman; C/V, cofactors/vitamins; FA, fatty acid; HEI-2010, Healthy Eating Index 2010; LCFA, long-chain fatty acid; MCFA, medium-chain fatty acid; SAM, S-adenosyl methionine.

2

Fixed-effects meta-analysis summary estimate from partial Spearman correlation, controlling for age at blood draw (years), BMI, number of years smoked regularly, number of cigarettes smoked per day, daily caloric intake, education (less than elementary or at least elementary), leisure-time physical activity (light to moderate or heavy), and occupational physical activity (nonworking, sedentary, light to moderate, or heavy). Statistically significant with Bonferroni correction for multiple statistical testing at P < 0.05/(1316 metabolites × 36 components) = 1.1 × 10–6).