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. 2022 Mar 10;21(4):1061–1072. doi: 10.1021/acs.jproteome.1c00935

Table 1. Blood Metabolites and Main Lipoprotein-Related Parameters Quantified via 1H NMR Spectroscopya.

  CITRATE plasma EDTA plasma SERUM p-value citrate-EDTA p-value citrate-serum p-value EDTA-serum
Metabolites (mmol/L)
3-hydroxybutyric acid            
mean (SD) 95% CI 5.70 × 10–2 (2.90 × 10–2) (4.40 × 10–2–7.00 × 10–2) 5.30 × 10–2 (3.20 × 10–2) (4.00 × 10–2–6.70 × 10–2) 6.90 × 10–2 (3.90 × 10–2) (5.20 × 10–2–8.60 × 10–2) 6.61 × 10–1 2.20 × 10–1 1.43 × 10–1
acetic acid            
mean (SD) 95% CI 5.40 × 10–2 (2.80 × 10–2) (4.20 × 10–2–6.60 × 10–2) 5.10 × 10–2 (2.70 × 10–2) (3.90 × 10–2–6.30 × 10–2) 2.90 × 10–2 (2.40 × 10–2) (1.90 × 10–2–4.00 × 10–2) 6.47 × 10–1 5.40 × 10–4 2.00 × 10–3
acetoacetic acid            
mean (SD) 95% CI 2.50 × 10–2 (1.50 × 10–2) (1.80 × 10–2–3.10 × 10–2) 2.00 × 10–2 (1.20 × 10–2) (1.50 × 10–2–2.50 × 10–2) 1.90 × 10–2 (1.50 × 10–2) (1.20 × 10–2–2.50 × 10–2) 2.46 × 10–1 1.59 × 10–1 7.84 × 10–1
acetone            
mean (SD) 95% CI 1.14 × 10–1 (4.50 × 10–2) (9.40 × 10–2–1.34 × 10–1) 2.00 × 10–2 (9.00 × 10–3) (1.60 × 10–2–2.40 × 10–2) 2.40 × 10–2 (1.10 × 10–2) (2.00 × 10–2–2.90 × 10–2) 8.21 × 10–13 1.25 × 10–12 1.43 × 10–1
alanine            
mean (SD) 95% CI 3.33 × 10–1 (5.90 × 10–2) (3.07 × 10–1–3.58 × 10–1) 3.61 × 10–1 (6.40 × 10–2) (3.33 × 10–1–3.89 × 10–1) 4.08 × 10–1 (6.60 × 10–2) (3.79 × 10–1–4.36 × 10–1) 1.02 × 10–1 2.06 × 10–5 5.72 × 10–3
creatine            
mean (SD) 95% CI 1.2 × 10–2 (9.00 × 10–3) (7.00 × 10–3–1.60 × 10–2) 1.20 × 10–2 (1.00 × 10–2) (8.00 × 10–3–1.70 × 10–2) 1.20 × 10–2 (1.00 × 10–2) (7.00 × 10–3–1.60 × 10–2) 5.99 × 10–1 8.24 × 10–1 8.26 × 10–1
creatinine            
mean (SD) 95% CI 6.90 × 10–2 (1.80 × 10–2) (6.10 × 10–2–7.70 × 10–2) 7.20 × 10–2 (2.20 × 10–2) (6.70 × 10–2–8.60 × 10–2) 8.00 × 10–2 (2.10 × 10–2) (7.10 × 10–2–8.90 × 10–2) 6.64 × 10–2 1.32 × 10–3 3.16 × 10–1
dimethylsulfone            
mean (SD) 95% CI 1.10 × 10–2 (6.00 × 10–3) (9.00 × 10–3–1.40 × 10–2) 4.00 × 10–3 (5.00 × 10–3) (2.00 × 10–3–6.00 × 10–3) 9.00 × 10–3 (7.00 × 10–3) (7.00 × 10–3–1.20 × 10–2) 1.05 × 10–10 3.64 × 10–2 3.08 × 10–7
formic acid            
mean (SD) 95% CI 3.60 × 10–2 (6.00 × 10–3) (3.40 × 10–2–3.90 × 10–2) 2.70 × 10–2 (6.00 × 10–3) (2.40 × 10–2–2.90 × 10–2) 1.80 × 10–2 (5.00 × 10–3) (1.60 × 10–2–2.10 × 10–2) 9.43 × 10–7 3.78 × 10–14 5.80 × 10–6
glucose            
mean (SD) 95% CI 5.17 × 100 (4.50 × 10–1) (4.98 × 100–5.37 × 100) 5.32 × 100 (5.36 × 10–1) (5.09 × 100–5.55 × 100) 5.24 × 100 (4.36 × 10–1) (5.05 × 100–5.43 × 100) 1.02 × 10–1 4.85 × 10–1 4.40 × 10–1
glutamine            
mean (SD) 95% CI 6.97 × 10–1 (1.18 × 10–1) (6.46 × 10–1–7.48 × 10–1) 7.86 × 10–1 (1.18 × 10–1) (7.35 × 10–1–8.37 × 10–1) 9.70 × 10–1 (1.43 × 10–1) (9.08 × 10–1–1.03 × 100) 1.99 × 10–3 2.54 × 10–11 4.25 × 10–7
glycine            
mean (SD) 95% CI 2.54 × 10–1 (4.50 × 10–2) (2.35 × 10–1–2.73 × 10–1) 2.62 × 10–1 (5.30 × 10–2) (2.39 × 10–1–2.85 × 10–1) 2.82 × 10–1 (4.90 × 10–2) (2.61 × 10–1–3.03 × 10–1) 4.03 × 10–1 1.16 × 10–3 7.60 × 10–2
histidine            
mean (SD) 95% CI 7.20 × 10–2 (1.00 × 10–2) (6.80 × 10–2–7.70 × 10–2) 9.20 × 10–2 (1.50 × 10–2) (8.60 × 10–2–9.90 × 10–2) 9.30 × 10–2 (1.30 × 10–2) (8.70 × 10–2–9.80 × 10–2) 2.19 × 10–6 1.18 × 10–7 8.99 × 10–1
isoleucine            
mean (SD) 95% CI 5.90 × 10–2 (1.40 × 10–2) (5.30 × 10–2–6.50 × 10–2) 6.20 × 10–2 (1.50 × 10–2) (5.50 × 10–2–6.80 × 10–2) 6.10 × 10–2 (1.20 × 10–2) (5.50 × 10–2–6.60 × 10–2) 4.03 × 10–1 5.67 × 10–1 7.84 × 10–1
lactic acid            
mean (SD) 95% CI 1.44 × 100 (6.83 × 10–1) (1.14 × 100–1.73 × 100) 2.04 × 100 (8.67 × 10–1) (1.67 × 100–2.42 × 100) 2.46 × 100 (7.38 × 10–1) (2.14 × 100–2.77 × 100) 2.90 × 10–3 1.01 × 10–6 7.48 × 10–2
leucine            
mean (SD) 95% CI 1.05 × 10–1 (2.00 × 10–2) (9.60 × 10–2–1.14 × 10–1) 1.13 × 10–1 (2.30 × 10–2) (1.03 × 10–1–1.23 × 10–1) 1.24 × 10–1 (2.50 × 10–2) (1.13 × 10–1–1.35 × 10–1) 2.07 × 10–1 4.97 × 10–3 8.52 × 10–2
N,N-dimethylglycine            
mean (SD) 95% CI 5.00 × 10–3 (1.00 × 10–3) (4.00 × 10–3–5.00 × 10–3) 5.00 × 10–3 (1.00 × 10–3) (5.00 × 10–3–6.00 × 10–3) 7.00 × 10–3 (1.00 × 10–3) (7.00 × 10–3–8.00 × 10–3) 1.76 × 10–1 9.40 × 10–8 4.72 × 10–6
phenylalanine            
mean (SD) 95% CI 4.10 × 10–2 (7.00 × 10–3) (3.70 × 10–2–4.40 × 10–2) 3.90 × 10–2 (6.00 × 10–3) (3.60 × 10–2–4.20 × 10–2) 4.90 × 10–2 (7.00 × 10–3) (4.50 × 10–2–5.20 × 10–2) 3.08 × 10–1 5.62 × 10–6 1.94 × 10–6
pyruvic acid            
mean (SD) 95% CI 1.35 × 10–1 (1.80 × 10–2) (1.27 × 10–1–1.43 × 10–1) 8.80 × 10–2 (2.00 × 10–2) (8.00 × 10–2–9.70 × 10–2) 6.30 × 10–2 (2.20 × 10–2) (5.40 × 10–2–7.30 × 10–2) 1.05 × 10–10 2.36 × 10–14 3.91 × 10–5
sarcosine            
mean (SD) 95% CI 3.00 × 10–3 (2.00 × 10–3) (2.00 × 10–3–4.00 × 10–3) 5.00 × 10–3 (3.00 × 10–3) (3.00 × 10–3–7.00 × 10–3) 4.00 × 10–3 (2.00 × 10–3) (3.00 × 10–3–5.00 × 10–3) 4.86 × 10–2 7.64 × 10–2 3.36 × 10–1
succinic acid            
mean (SD) 95% CI 3.00 × 10–3 (2.00 × 10–3) (2.00 × 10–3–4.00 × 10–3) 4.00 × 10–3 (2.00 × 10–3) (3.00 × 10–3–5.00 × 10–3) 4.00 × 10–3 (5.00 × 10–3) (2.00 × 10–3–6.00 × 10–3) 1.02 × 10–1 2.61 × 10–1 7.86 × 10–1
trimethylamine-N-oxide            
mean (SD) 95% CI 2.10 × 10–2 (8.00 × 10–3) (1.80 × 10–2–2.50 × 10–2) 2.90 × 10–2 (7.00 × 10–3) (2.50 × 10–2–3.20 × 10–2) 2.60 × 10–2 (1.00 × 10–2) (2.20 × 10–2–3.10 × 10–2) 6.94 × 10–3 8.09 × 10–2 5.27 × 10–1
tyrosine            
mean (SD) 95% CI 5.20 × 10–2 (1.00 × 10–2) (4.70 × 10–2–5.60 × 10–2) 5.40 × 10–2 (1.00 × 10–2) (5.00 × 10–2–5.80 × 10–2) 6.10 × 10–2 (1.00 × 10–2) (5.70 × 10–2–6.60 × 10–2) 3.75 × 10–1 2.45 × 10–4 1.37 × 10–3
valine            
mean (SD) 95% CI 2.32 × 10–1 (3.70 × 10–2) (2.15 × 10–1–2.48 × 10–1) 2.52 × 10–1 (5.20 × 10–2) (2.30 × 10–1–2.74 × 10–1) 2.63 × 10–1 (5.40 × 10–2) (2.40 × 10–1–2.86 × 10–1) 7.00 × 10–2 4.97 × 10–3 3.36 × 10–1
Lipoprotein Parameters (mg/dL)
triglycerides            
mean (SD) 95% CI 6.84 × 101 (2.50 × 101) (5.76 × 101–7.93 × 101) 7.02 × 101 (2.68 × 101) (5.85 × 101–8.18 × 101) 7.15 × 101 (2.82 × 101) (5.92 × 101–8.37 × 101) 7.16 × 10–1 5.06 × 10–1 9.93 × 10–1
cholesterol            
mean (SD) 95% CI 1.73 × 102 (2.43 × 101) (1.63 × 102–1.84 × 102) 1.87 × 102 (2.61 × 101) (1.76 × 102–1.99 × 102) 1.90 × 102 (2.90 × 101) (1.78 × 102–2.03 × 102) 2.35 × 10–3 3.39 × 10–3 9.93 × 10–1
cholesterol, VLDL            
mean (SD) 95% CI 1.12 × 101 (5.67 × 100) (8.73 × 100–1.36 × 101) 1.14 × 101 (5.96 × 100) (8.78 × 100–1.39 × 101) 1.08 × 101 (6.58 × 100) (8.00 × 100–1.37 × 101) 8.70 × 10–1 8.00 × 10–1 9.93 × 10–1
cholesterol, IDL            
mean (SD) 95% CI 4.44 × 100 (3.25 × 100) (3.04 × 100–5.85 × 100) 6.67 × 100 (3.47 × 100) (5.17 × 100–8.17 × 100) 6.76 × 100 (3.79 × 100) (5.12 × 100–8.40 × 100) 1.33 × 10–3 1.61 × 10–3 9.95 × 10–1
cholesterol, LDL            
mean (SD) 95% CI 8.91 × 101 (2.22 × 101) (7.95 × 101–9.87 × 101) 9.85 × 101 (2.35 × 101) (8.83 × 101–1.09 × 102) 9.88 × 101 (2.47 × 101) (8.81 × 101–1.09 × 102) 1.33 × 10–2 2.90 × 10–2 9.95 × 10–1
cholesterol, HDL            
mean (SD) 95% CI 5.81 × 101 (9.98 × 100) (5.38 × 101–6.24 × 101) 6.24 × 101 (1.16 × 101) (5.74 × 101–6.74 × 101) 6.57 × 101 (1.31 × 101) (6.01 × 101–7.14 × 101) 1.03 × 10–3 1.12 × 10–5 8.16 × 10–2
Apo-A1            
mean (SD) 95% CI 1.50 × 102 (1.53 × 101) (1.44 × 102–1.57 × 102) 1.60 × 102 (1.75 × 101) (1.52 × 102–1.67 × 102) 1.65 × 102 (2.19 × 101) (1.55 × 102–1.74 × 102) 8.89 × 10–4 8.20 × 10–5 2.50 × 10–1
Apo-A2            
mean (SD) 95% CI 3.17 × 101 (3.45 × 100) (3.02 × 101–3.32 × 101) 3.44 × 101 (3.76 × 100) (3.28 × 101–3.61 × 101) 3.63 × 101 (5.05 × 100) (3.41 × 101–3.85 × 101) 3.85 × 10–4 1.47 × 10–5 1.62 × 10–1
Apo-B100            
mean (SD) 95% CI 6.47 × 101 (1.46 × 101) (5.84 × 101–7.10 × 101) 6.84 × 101 (1.54 × 101) (6.17 × 101–7.50 × 101) 6.82 × 101 (1.57 × 101) (6.14 × 101–7.50 × 101) 5.07 × 10–2 1.06 × 10–1 9.95 × 10–1
a

p-values are adjusted for multiple testing using the FDR procedure with the Benjamini–Hochberg correction at α = 0.05.