Compound Group 1H (ppm)a 1H Multiplicityb 3-hydroxybutyrate CH3 1.22 d   CH2 2.48 dd   CH 4.16 m Acetate CH3 1.94 s Alanine CH3 1.50 d CH 3.80 q Betaine N (CH3)3 3.25 s   -CH2 3.90 s Choline N-(CH3)3 3.23 s βCH2 3.53 m αCH2 4.06 m Citrate γCH2 2.55 d   γ’CH2 2.72 d Creatine N-CH3 3.06 s N-CH2 3.95 s Creatinine N-CH3 3.07 s N-CH2 4.08 s Cysteine βCH2 αCH 3.03 3.97 dd t Formate HCOO- 8.48 s α-Glucose C4H C2H C3H C6H2 C5H C1H 3.43 3.56 3.78 3.79 3.86 5.26 m dd m m m d β-Glucose C2H C4H C5H C3H C6H2 C1H 3.27 3.43 3.49 3.50 3.93 4.67 dd m m m dd d Glutamic acid βCH2 γCH2 αCH 2.10 2.38 3.76 m m dd Glutamine βCH2 γCH2 αCH 2.15 2.47 3.77 m m t Lactate βCH3 1.35 d αCH 4.14 q Lipids in LDL CH3-(CH2)n 0.87 m   -(CH2)n 1.26 m Lipids in VLDL CH3-CH2-CH2-C= 0.90 m   CH2-CH2-CH2-CO 1.30 m   CH2-CH2-CO 1.60 m Lysine γCH2 δCH2 βCH2 εCH2 1.43 1.71 1.90 3.05 m m m t N-acetylglicoproteins NHCOCH3 2.05 s Succinate CH2 2.41 s Triglycerides CH3-(CH2)n -(CH2)n CH2-CH2-CO CH2-C=C CH2-C=O =CH CH2 CH= CH=CH 0.91 1.30 1.60 2.04 2.25 2.78 5.33 m m m m m m m Trimethylamine-N-oxide (TMAO) N-(CH3)3 3.27 s Valine γCH3 γCH3 βCH αCH 1.01 1.06 2.27 3.62 d d m m a1H chemical shift are reported with respect to DSS signal (0.00 ppm) bMultiplicity definitions: s: singlet; d: doublet; t: triplet; q: quartet; dd: doublet of doublets; m: multiplet

Table 3: 1H NMR chemical shift of the metabolites identified.