Table 2.
Metabolite | 1H chemical shift (δ, ppm) and multiplicity |
---|---|
Formate | 8.46 (s) |
Inosinea | 8.34 (s), 8.23 (s), 6.1 (d), 4.44 (t) |
Non-assigned | 8.27 (s) |
Non-assigneda | 7.68 (s) |
Inosine-diphosphate | 6.16 (s) |
Allantoina | 5.4 (s) |
Lipids (C[H2]-CH2-CO) | 5.31 (m) |
Glucosea | 5.23 (m), 3.84 |
Glycerophosphocholinea | 4.32 (m), 3.23 (s) |
Lactatea | 4.11 (q), 1.33 (d) |
Myo-inositol | 4.06 (t), 3.61 (dd), 3.52 (dd) |
Creatine | 3.93 (s), 3.04 (s) |
β-D-glucosea | 3.91 (dd), 3.73 (d), 3.48 (m) |
Glycerola | 3.78 (m), 3.66 (dd), 3.64 (dd), 3.56 (dd) |
3-Methyl-histidinea | 3.7 (s) |
Taurine 3.42 (t)a | 3.42 (t), 3.25 (t) |
Scyllo-inositola | 3.36 (s) |
Cholinea | 3.21 (s) |
Non-assigned | 3.13 (s), 4.04 (d) |
Lipids (C = C-CH2-C = C) | 2.76 (m) |
Glutaminea | 2.46 (m), 2.14 (m) |
Succinatea | 2.41 (s) |
Glutamatea | 2.36 (dt), 2.04 (m) |
3-Hydroxybutyratea | 2.31 (m), 1.2 (d) |
Lipids (CH2-CO) | 2.26 (m) |
N-acetylglutaminea | 2.02 (s) |
Acetatea | 1.92 (s) |
Lipids (C[H2]-CH2-CO) | 1.58 (m) |
Alanine | 1.48 (d) |
Lipids ((−CH2-)n) | 1.27 (m) |
Valine | 1.04 (d), 0.99 (d) |
Isoleucinea | 1.01 (d) |
Leucine | 0.96 (dd) |
Lipids (CH3) | 0.89 (m) |
aCompounds that were statistically significant (P < 0.05) between at least a congenic strain and BN. Patterns of significant differential regulation of these metabolites in the relevant congenic strains and contributing chromosomal regions are shown in Fig. 2
S singlet, d doublet, t triplet, m multiplet, dd doublet of doublet, dt doublet of triplet