Supplementary MaterialsSupplementary Information msb200856-s1. (t) CH2, 3.02 (t) CH2C 75-Hydroxytryptophan3.23 (dd) ? CH2, 3.41 (dd) ? CH2, 4.02 CHNH2, 6.88 H6, 7.14 H2, 7.28, 7.41 H7U 8Acetate1.92 (s) CH3U, L, K, D, J, I, C 9Adenosine diphosphate4.20 (dd) ? CH2, 4.23 (dd) ? CH2, 4.27 (dt) H5, 4.50 (m) H4, 4.77 (m) H3, 6.12 (d) H2, 8.18 (s) H7, 8.50 (s) H12, 8.55 (s) H12L, K10Alanine1.48 (d) CH3, 3.79 (m) CHL, K, D, J, I, C11Aspartate2.68 (AB of ABX) ? CH2, 2.82 (Abdominal of ABX) ? CH2, 3.91 Asunaprevir cell signaling (X of ABX) CHK, D, J, I, C12Betaine3.27 (s) CH3, 3.90 (s) CH2K13Bile acids (mixed)0.70 (s) CH3, 1.05 (s) CH3L, D, J, I14Choline3.20 (s) N-(CH3)3, 3.51 (t) CH2, 4.05 (t) CH2L, K, D; J, I, C15Citrate2.69 (AB) ? CH2, 2.55 (AB) ? CH2U16Creatine3.03 (s) N-CH3, 3.94 (s) CH2U, K, D, J, I, C17Creatinine3.06 (s) N-CH3, 4.05 (s) CH2U18Dimethylamine2.72 (s) CH3U19Ethanolamine3.13 (t) NH-CH2, 3.83 (t) HO-CH2K20Formate8.46 (s) CHU, D, J, I, C21Fumarate6.52 (s) CHU, L, K, D, J, I, C22-Glucose3.42 (t) H4, 3.54 (dd) H2, 3.71 (t) H3, 3.72 (m) ? CH2-C6, 3.76 (m) ? CH2-C6, 3.83 (ddd) H5, 5.23 (d) H1L, K, D, J, I, C23-Glucose3.24 (dd) H2, 3.40 (t) H4, 3.47 (ddd) H5, 3.48 (t) H3, 3.84 (m) ? CH2-C6, 3.90 (dd) ? CH2-C6, 4.64 (d) H1L24Glutamate2.08 (m) CH2, 2.34 (m) CH2, 3.75 (m) CHK, D, J, I, C25Glutamine2.15 (m) CH2, 2.46 (m) CH2, 3.77 (m) CHL, K, D, J, I, C26Glutathione (oxidized)2.17 (m) CH2 Glu, 2.55 (m) CH2 Glu, 2.98 (AB of ABX, large) and 3.30 (AB of ABX, broad) CH2 Cys, 3.78, CH2 Gly, 4.75 (X of ABX, broad) CH CysL27Glycine3.56 (s) CHU, D, J, I28Glycerophosphocholine3.23 (s) N-(CH3)3, 4.32 (m large) CHD, J, C29Glycogen3.83 (m large), 5.41 (m large)L30Guanine7.72 (s) CHU31Guanosine3.86 (m) CH2, 4.24 (m) H5, 4.41 (t) H4, 5.91 (d) H2, 8.00 (s) H8U, D, J32Hippurate3.97 (d) CH2, 7.56 (t) m-CH, 7.65 (t) p-CH, 7.84 (d) CHU33Histidine3.14 ? CH2 (Abdominal of ABX), Asunaprevir cell signaling 3.25 ? CH2 (Abdominal of ABX), 3.99 Asunaprevir cell signaling CH (X of ABX), 7.08 (s) H5, 7.83 (s) H3L, K34Hypotaurine2.64 (t) CH2-NH2, 3.37 (t) CH2-SO3L35Inosine3.85 ? CH2 (Abdominal of ABX), 3.92 ? CH2 (Abdominal of ABX), 4.28 H5 (X of ABX), 6.10 (d) H2, 8.24 (s) H8, 8.34 (s) H2L, K, D, J, I, C36Isoleucine0.95 (t) CH3, 1.01 (d) CH3, 1.26 (m) ? CH2, 1.48 (m) ? CH2, 1.98 (m) CH 3.68 (d) CHU, L, K, D, J, I, C37Isovaleric acid0.92 (d) CH3, 1.94 (m) CH, 2.05 (d) CH2U38Lactate1.33 (d) CH3, 4.12 (q) CHL, K, D, J, I, C39Leucine0.96 (d) CH3, 1.71 (m) CH, 3.73 (t) CHL, K, D, J, I, C40Lysine1.48 (m) CH2, 1.73 (m) CH2, 1.91 (m) CH2, 3.03 (t) ?CH2, 3.76 (t) CHK, D, J, I, C41explained from the model. Table 3 Summary of variations of metabolite signals with the highest discriminant power for each model (Deneke and Fanburg, 1989). In this study, GSH was not observed Asunaprevir cell signaling because it is definitely readily oxidized to GSSG by exposure to atmospheric oxygen during sample preparation. Thus, it can be considered the observed GSSG displays the whole amount of glutathione in the liver draw out. Normally, glutathione, rather than hypotaurine, is the predominant antioxidative molecule in the liver. Furthermore, it has been shown that hypotaurine is also a strong antioxidative compound (Aruoma em et al /em , 1988; Yancey, 2005). The observation of a high level of hypotaurine concomitant with low level of glutathione shows a perturbation of the cell response to oxidative stress. Thus, for these two individuals, the higher level of hypotaurine may compensate for the lack of glutathione Rabbit Polyclonal to TRIM16 in the liver. It is noteworthy that the low total glutathione content material was connected in these two.