|
| Number | Metabolites | Moieties | δ1H (ppm) and multiplicity | Related pathway |
|
| (1) | LDL/VLDL | CH2 | 0.82(m), 0.86(m), 1.26(m) | Synthesis of LDL/VLDL |
| (2) | Isoleucine | γCH3, αCH3 | 0.93(t), 1.00(d) | Gluconeogenesis of glucogenic amino acid/proteolysis |
| (3) | Leucine | δCH3, δCH3 | 0.94(d), 0.96(d) | Ketogenesis of ketogenic amino acids/proteolysis |
| (4) | Valine | γCH3, γCH3 | 1.03(d); 0.97(d) | Gluconeogenesis of glucogenic amino acid/proteolysis |
| (5) | 3-Hydroxybutyrate | γCH3 | 1.19(d) | Synthesis and degradation of ketone bodies |
| (6) | Lactate | βCH3, CH | 1.33(d), 4.06(q) | Glycolysis and gluconeogenesis |
| (7) | Alanine | βCH3 | 1.46(d) | Gluconeogenesis of glucogenic amino acid/proteolysis |
| (8) | Lysine | αCH2, γCH2 | 1.88(m), 1.72(m) | Ketogenesis of ketogenic amino acids |
| (9) | Acetate | COCH3 | 1.90(d) | β-Oxidation of fatty acids |
| (10) | Acetone | CO(CH3)2 | 2.22(s) | Synthesis and degradation of ketone bodies |
| (11) | Acetoacetate | COCH3 | 2.28(s) | Synthesis and degradation of ketone bodies |
| (12) | Glutamate | βCH2 | 2.34(m) | Glutamate metabolism/nitrogen metabolism |
| (13) | Pyruvate | COCH3 | 2.37(s) | Glycolysis/gluconeogenesis/TCA cycle |
| (14) | Succinate | (COCH2)2 | 2.40(s) | TCA cycle |
| (15) | Glutamine | βCH2 | 2.40–2.48(m) | Glutamate metabolism/nitrogen metabolism |
| (16) | Citrate | 1/2CH2, 1/2CH2 | 2.65–2.70(d); 2.20–2.55(d) | TCA cycle |
| (17) | N,N-Dimethylglycine | N(CH3)2 | 2.90(s) | Glycine, serine and threonine metabolism |
| (18) | Creatine | N-CH3, N-CH2- | 4.05(s); 3.04(s) | Creatine metabolism |
| (19) | Choline | N(CH3)3 | 3.18–3.19(s) | Choline metabolism |
| (20) | O-Phosphocholine | N(CH3)3 | 3.22(s) | Choline metabolism |
| (21) | Betaine | N(CH3)3 | 3.26(s) | Betaine metabolism |
| (22) | Glycine | CH2 | 3.54(s), | Glycine, serine, and threonine metabolism |
| (23) | Glucose | CH | 5.20(d), 4.66(d), 3.70–3.90(m), 3.30–3.50(m), 3.84(m) | Glycolysis and gluconeogenesis |
| (24) | Serine | CH2 | 3.94(d) | Glycine and serine metabolism/ketogenesis of ketogenic amino acids |
| (25) | Fumarate | CH=CH | 6.50(s) | TCA cycle |
| (26) | Tyrosine | ph-H | 7.20(d), 6.86(d) | Tyrosine metabolism/ketogenesis of ketogenic amino acids |
| (27) | -Methylhistidine | CH-N-CH= | 7.65(s), 7.02(s) | Histidine metabolism |
| (28) | Phenylalanine | ph-H | 7.30(m) | Phenylalanine and tyrosine metabolism |
| (29) | Formate | HCOO | 8.46(s) | Formate metabolism |
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