| Key |
Metabolites |
δ 1H (ppm) and multiplicity* |
Concentration (µM/mg)
Mean ± SD |
Estimates of absolute concentrations in tissue (mM)
Mean ± SD |
| |
|
|
Tumor |
Control |
Tumor |
Control |
| 1 |
Cholate |
0.68(s),0.93(s), 0.96(d),1.00(m), 1.16(m),1.30(m), 1.42(m),1.51(m), 1.60(m),1.70(m), 1.80(m),1.89(m), 2.00(m),2.10(m), 2.23(m),3.51(m), 3.91(m), 4.08(m) |
2.94 ± 2.09 |
1.15 ± 0.72 |
1.86 ± 1.32 |
0.73 ± 0.45 |
| 2 |
Isoleucine |
0.94(t), 0.99(d),
1.27(m), 1.45(m), 1.99(m), 3.67(d) |
9.82 ± 2.94 |
3.30 ± 2.73 |
6.20 ± 1.86 |
2.08 ± 1.72 |
| 3 |
Alloisoleucine |
0.96(d), 0.97(t), 1.37(m), 1.42(m), 2.02(m), 3.70(d) |
7.69 ± 2.93 |
2.78 ± 2.55 |
4.86 ± 1.85 |
1.76 ± 1.61 |
| 4 |
Leucine |
0.96(d), 0.97(d), 1.69(m), 1.70(m), 1.74(m), 3.74(dd) |
8.97 ± 2.38 |
3.04 ± 1.59 |
5.67 ± 1.50 |
1.92 ± 1.00 |
| 5 |
2-Aminobutyrate |
0.99(t), 1.90(m), 3.73(dd) |
5.86 ± 1.96 |
1.94 ± 1.16 |
3.70 ± 1.24 |
1.23 ± 0.73 |
| 6 |
Valine |
0.97(d), 1.02(d), 2.28(m), 3.61(d) |
8.39 ± 2.47 |
3.00 ± 2.58 |
5.30 ± 1.56 |
1.89 ± 1.63 |
| 7 |
Isobutyrate |
1.05(d), 2.37(m) |
5.88 ± 1.30 |
2.36 ± 1.66 |
3.71 ± 0.82 |
1.49 ± 1.05 |
| 8 |
Ethanol |
1.19(t), 3.66(q) |
13.11 ± 3.53 |
6.11 ± 1.33 |
8.28 ± 2.23 |
3.86 ± 0.084 |
| 9 |
Lactate |
1.33(d), 4.11(q) |
28.34 ± 6.45 |
22.17 ± 3.92 |
17.90 ± 4.07 |
14.00 ± 2.48 |
| 10 |
Threonine |
1.33(d), 3.58(d), 4.26(m) |
6.06 ± 1.90 |
1.63 ± 1.13 |
3.83 ± 1.20 |
1.03 ± 0.71 |
| 11 |
Lysine |
1.44(m), 1.51(m), 1.73(m), 1.89(m), 1.92(m), 3.03(t), 3.77(t), |
10.06 ± 3.92 |
3.08 ± 2.52 |
6.35 ± 2.48 |
1.95 ± 1.59 |
| 12 |
Cadaverine |
1.46(m), 1.70(m), 3.03(m) |
1.11 ± 0.18 |
0.43 ± 0.29 |
0.70 ± 0.11 |
0.27 ± 0.18 |
| 13 |
Alanine |
1.48(d), 3.78(q) |
21.38 ± 4.49 |
9.39 ± 4.91 |
13.50 ± 2.84 |
5.93 ± 3.10 |
| 14 |
Arginine |
1.66(m), 1.73(m), 1.91(m), 1.92(m), 3.25(t), 3.78(t), |
10.90 ± 4.93 |
3.55 ± 2.08 |
6.88 ± 3.11 |
2.24 ± 1.31 |
| 15 |
Acetate |
1.92(s) |
0.82 ± 0.26 |
1.14 ± 0.69 |
0.52 ± 0.16 |
0.72 ± 0.44 |
| 16 |
Glutamate |
2.06(m), 2.14(m), 2.34(m), 2.37(m), 3.76(dd) |
10.08 ± 2.03 |
6.66 ± 1.51 |
6.37 ± 1.28 |
4.21 ± 0.95 |
| 17 |
Glutamine |
2.13(m), 2.15(m), 2.44(m), 2.47(m), 3.76(t), 6.85(s), |
9.70 ± 2.12 |
5.04 ± 1.62 |
6.13 ± 1.34 |
3.18 ± 1.02 |
| 18 |
Methionine |
2.13(m), 2.14(s), 2.21(m), 2.65(t), 3.86(dd) |
4.25 ± 1.16 |
1.66 ± 1.01 |
2.68 ± 0.73 |
1.05 ± 0.64 |
| 19 |
Malate |
2.38(dd), 2.67(dd), 4.30(m) |
2.09 ± 0.66 |
1.23 ± 0.32 |
1.32 ± 0.42 |
0.78 ± 0.20 |
| 20 |
Citrate |
2.53(d), 2.67(d) |
0.31 ± 0.05 |
0.19 ± 0.07 |
0.20 ± 0.03 |
0.12 ± 0.04 |
| 23 |
Asparagine |
2.85(dd), 2.95(dd), 4.00(dd) |
2.83 ± 0.44 |
0.61 ± 0.45 |
1.79 ± 0.28 |
0.39 ± 0.28 |
| 24 |
Creatine phosphate |
3.04(s), 3.93(s) |
3.02 ± 0.97 |
2.06 ± 0.48 |
1.91 ± 0.61 |
1.30 ± 0.30 |
| 25 |
Creatine |
3.04(s), 3.93(s) |
2.37 ± 0.46 |
1.61 ± 0.39 |
1.50 ± 0.29 |
1.02 ± 0.25 |
| 26 |
Tyrosine |
3.06(dd), 3.21(dd), 3.95(dd), 6.90(m), 7.20(m) |
4.74 ± 1.60 |
1.93 ± 1.24 |
2.99 ± 1.01 |
1.22 ± 0.78 |
| 27 |
Phenylalanine |
3.13(dd), 3.29(dd), 4.00(dd), 7.33(m), 7.38(m), 7.43(m) |
6.90 ± 2.29 |
2.49 ± 1.80 |
4.36 ± 1.45 |
1.57 ± 1.14 |
| 28 |
Choline |
3.21(s), 3.52(m), 4.07(m) |
4.85 ± 0.83 |
2.79 ± 1.61 |
3.06 ± 0.52 |
1.76 ± 1.02 |
| 29 |
O-Phosphocholine |
3.22(s), 3.58(m), 4.17(m) |
0.23 ± 0.06 |
2.07 ± 0.94 |
0.15 ± 0.04 |
1.31 ± 0.59 |
| 30 |
sn-Glycero-3-phosphocholine |
3.23(s), 3.62(dd), 3.67(m), 3.68(m), 3.88(m), 3.92(m), 3.96(m), 4.33(m) |
7.02 ± 1.73 |
8.95 ± 1.98 |
4.43 ± 1.09 |
5.65 ± 1.25 |
| 31 |
Trimethylamine N-oxide |
3.27(s) |
0.27 ± 0.10 |
0.35 ± 0.10 |
0.17 ± 0.06 |
0.22 ± 0.06 |
| 32 |
Glucose |
3.23(m), 3.40(m), 3.48(m), 3.54(dd), 3.71(dd), 3.73(dd), 3.76(m), 3.82(m), 3.84(m), 3.90(dd), 4.65(d), 5.23(d) |
4.19 ± 3.30 |
2.96 ± 1.30 |
2.65 ± 2.08 |
1.87 ± 0.82 |
| 33 |
Taurine |
3.26(t), 3.43(t) |
21.33 ± 2.96 |
16.32 ± 2.92 |
13.47 ± 1.87 |
10.31 ± 1.84 |
| 34 |
myo-Inositol |
3.29(t), 3.53(dd), 3.62(t), 4.06(m) |
3.41 ± 0.35 |
3.10 ± 0.56 |
2.15 ± 0.22 |
1.96 ± 0.35 |
| 35 |
Tryptophan |
3.29(dd), 3.47(dd), 4.06(dd), 7.21(m), 7.29(m), 7.32(s), 7.54(d), 7.74(d), |
1.39 ± 0.44 |
0.44 ± 0.34 |
0.88 ± 0.28 |
0.28 ± 0.21 |
| 36 |
Methanol |
3.36(s) |
|
|
|
|
| 37 |
Glycine |
3.56(s) |
8.68 ± 1.71 |
3.87 ± 1.83 |
5.48 ± 1.08 |
2.44 ± 1.16 |
| 38 |
Glycerol |
3.56(dd), 3.65(dd), 3.78(m) |
9.50 ± 4.14 |
3.16 ± 1.72 |
6.00 ± 2.61 |
2.00 ± 1.09 |
| 39 |
Uridine |
3.80(dd), 3.92(dd), 4.13(m), 4.23(t), 4.36(t), 5.90(d), 5.92(d), 7.88(d), |
0.48 ± 0.16 |
0.32 ± 0.10 |
0.30 ± 0.10 |
0.20 ± 0.06 |
| 40 |
Cytidine |
3.80(dd), 3.92(dd), 4.12(m), 4.20(t), 4.30(m), 5.91(d), 6.06(d), 7.85(d) |
0.19 ± 0.06 |
0.10 ± 0.04 |
0.12 ± 0.04 |
0.06 ± 0.03 |
| 41 |
Guanosine |
3.81(dd), 3.88(dd), 4.22(m), 4.41(dd), 4.75(t), 5.92(d), 8.00(s) |
0.19 ± 0.11 |
0.10 ± 0.04 |
0.12 ± 0.07 |
0.06 ± 0.03 |
| 42 |
Adenosine |
3.83(dd), 3.91(dd), 4.28(m), 4.42(dd), 4.79(dd), 6.07(d), 8.23(s), 8.35(s) |
0.11 ± 0.03 |
0.05 ± 0.02 |
0.07 ± 0.02 |
0.03 ± 0.01 |
| 43 |
Inosine |
3.84(dd), 3.92(dd), 4.27(m), 4.44(m), 4.76(t), 6.10(d), 8.23(s), 8.35(s) |
0.50 ± 0.12 |
0.99 ± 0.42 |
0.32 ± 0.08 |
0.63 ± 0.27 |
| 44 |
Serine |
3.84(dd), 3.95(dd), 3.99(dd) |
8.40 ± 1.11 |
3.22 ± 2.13 |
5.31 ± 0.70 |
2.03 ± 1.35 |
| 45 |
Glycolate |
3.93(s) |
1.36 ± 0.35 |
0.66 ± 0.40 |
0.86 ± 0.22 |
0.42 ± 0.25 |
| 46 |
Nicotinurate |
3.98(m), 7.60(dd), 8.25(m), 8.71(dd), 8.94(m) |
0.50 ± 0.03 |
0.42 ± 0.08 |
0.32 ± 0.02 |
0.27 ± 0.05 |
| 47 |
Uracil |
5.80(d), 7.53(d) |
1.21 ± 0.17 |
0.50 ± 0.23 |
0.76 ± 0.11 |
0.32 ± 0.15 |
| 48 |
Fumarate |
6.52(s) |
0.13 ± 0.03 |
0.09 ± 0.02 |
0.08 ± 0.02 |
0.06 ± 0.01 |
| 49 |
Hypoxanthine |
8.19(s), 8.21(s) |
0.44 ± 0.10 |
0.95 ± 0.12 |
0.28 ± 0.06 |
0.60 ± 0.08 |
| 50 |
Formate |
8.46(s) |
2.87 ± 0.59 |
1.63 ± 0.46 |
1.81 ± 0.37 |
1.03 ± 0.29 |
|
