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. 2021 May 26;8:685362. doi: 10.3389/fmolb.2021.685362

TABLE 1.

Identified metabolites in 1H NMR spectra of aqueous extracts derived from C2C12 myoblasts.

NO. Metabolites δ 1H (ppm) and multiplicity Moieties
1 Leucine 0.96(d), 0.97(d), 1.69(m), 1.70(m), 1.73(m), 3.73(m) α-CH3, α-CH3, γ-CH, β-CH2, α-CH
2 Isoleucine 0.94(t), 1.01(d), 1.21(m), 1.42(m), 2.00(m), 3.67(d) δ-CH3, γ-CH3, half γ-CH2, half γ-CH2, β-CH, α-CH
3 Valine 0.99(d), 1.05(d), 2.26(m), 3.60(d) γ-CH3, γ-CH3, β-CH, α-CH
4 Alanine 1.47(d), 3.78(q) β-CH3, α-CH
5 Lysine 1.43(m), 1.50(m), 1.73(m), 1.89(m), 1.92(m), 3.02(t), 3.75(t) γ-CH2, half γ-CH2, δ-CH2, β-CH2, ε-CH2, α-CH
6 Acetate 1.91(s) CH3
7 Glutamate 2.08(m), 2.12(m), 2.34(m), 2.37(m), 3.75(m) half β-CH2, half β-CH2, half γ-CH2, half γ-CH2, α-CH
8 Glutamine 2.13(m), 2.45(m), 3.77(t) γ-CH2, β-CH2, α-CH
9 Glutathione 2.15(m), 2.55(m), 2.96(m), 3.77(m), 4.56(m) β-CH2, γ-CH2, CH2-SH, α-CH&CH2-NH, CH-NH
10 Aspartate 2.68(dd), 2.81(dd), 3.90(dd) β-CH2, α-CH
11 β-Alanine 2.54(t), 3.17(t) CH2, CH2
12 Choline 3.20(s), 3.50 (dd), 4.03(t) N-(CH3)3, N-CH2, CH2OH
13 PC 3.22(s), 3.60(t), 4.18(m) N-(CH3)3, N-CH2, CH2OH
14 GPC 3.23(s), 3.60(dd), 3.68(dd), 3.87(m), 3.94(m), 4.33(m) N-(CH3)3, half 1CH2, 2CH2, half 1CH2, half 3CH2, half 3CH2, 1CH2
15 Glycine 3.57(s) α-CH2
16 Creatine 3.04(s), 3.93(s) N-CH3, α-CH2
17 Phosphocreatine 3.05(s), 4.05(s) N-CH3, CH2
18 Myo-inositol 3.28(t), 3.53 (dd), 3.63(t), 4.07(t) 2CH,4,6CH,1,3CH, 5CH
19 Lactate 1.33(d), 4.11(q) β-CH3, α-CH
20 Taurine 3.24(t), 3.41(t) 1CH2, 2CH2
21 Threonine 1.31(d), 3.59(d), 4.25(m) γ-CH2, β-CH
22 Glucose β(3.24 (dd), 3.48(t), 3.90 (dd)), α(3.54 (dd), 3.71(t), 3.72 (dd), 3.83(m)) β(H2, H3, H5), α(H2, H3, H6)
23 ADP 6.13 (d), 8.27 (s), 8.58 (s) NH2, δ-CH, 2CH
24 ATP 6.14 (d), 8.27 (s), 8.58 (s) NH2, δ-CH, 2CH
25 Histidine 7.06(s), 7.85(s) 5CH, 2CH
26 Tyrosine 3.05(dd), 3.19(dd), 6.92(d), 7.19(d) half β-CH2, half β-CH2, β-CH, α-CH
27 Phenylalanine 3.12(dd), 3.30(dd), 3.99(dd), 7.33(d), 7.37(t),7.43(t) α-CH, half β-CH2, half β-CH2, α-CH, β-CH, γ-CH
28 GTP 5.92 (d), 8.1 (s) CH, CH
29 Formate 8.46(s) CH
30 NAD+ 6.03(d), 6.08(s), 8.16(s), 8.20(m), 8.41(s), 8.82(d), 9.13(d), 9.32(s) NH2, NH2(CO), δ-CH, β-CH, 2CH, γ-CH, α-CH

Multiplicity: s, singlet; d, double; t, triplet; q, quartet; m, multiple; dd, double of double.