Table 1 FluxFix correction for acetyl-CoA and HMG-CoA from [13C]-glucose treated cells. Output was generated with both simulated and experimental unlabeled data
From: FluxFix: automatic isotopologue normalization for metabolic tracer analysis
Acetyl-CoA: | M0 | M1 | M2 | M3 | M4 | M5 | |
Input: Signal Intensity Values | |||||||
unlabeled_1 | 8.45E + 07 | 1.48E + 07 | 7.38E + 05 | 2.35E + 04 | 0.00E + 00 | 0.00E + 00 | |
unlabeled_2 | 8.47E + 07 | 1.45E + 07 | 8.45E + 05 | 2.16E + 04 | 0.00E + 00 | 0.00E + 00 | |
unlabeled_3 | 8.41E + 07 | 1.49E + 07 | 9.58E + 05 | 3.09E + 04 | 0.00E + 00 | 0.00E + 00 | |
13C-Glc labeled_1 | 2.62E + 07 | 4.53E + 06 | 1.28E + 07 | 1.70E + 06 | 0.00E + 00 | 0.00E + 00 | |
13C-Glc labeled_2 | 2.73E + 07 | 4.88E + 06 | 1.38E + 07 | 1.81E + 06 | 0.00E + 00 | 0.00E + 00 | |
13C-Glc labeled_3 | 3.00E + 07 | 5.34E + 06 | 1.47E + 07 | 1.85E + 06 | 0.00E + 00 | 0.00E + 00 | |
unlabeled_simulation | 809264.4 | 113786.2 | 36571.6 | 333.7 | 42.3 | 2.7 | |
Output: % molar enrichment (normalised to unlabeled data) | |||||||
labeled_1 | 68.63 | −0.11 | 32.86 | −1.30 | −0.10 | 0.02 | |
13C-Glc labeled_2 | 67.68 | 0.29 | 33.48 | −1.38 | −0.10 | 0.02 | |
13C-Glc labeled_3 | 68.50 | 0.24 | 32.84 | −1.53 | −0.06 | 0.02 | |
Output: % molar enrichment (normalised to simulated data) | |||||||
13C-Glc labeled_1 | 68.73 | 2.22 | 30.16 | 0.09 | −1.38 | 0.18 | |
13C-Glc labeled_2 | 67.78 | 2.59 | 30.84 | 0.01 | −1.40 | 0.18 | |
13C-Glc labeled_3 | 68.60 | 2.57 | 30.15 | −0.15 | −1.35 | 0.18 | |
HMG-CoA: | M0 | M1 | M2 | M3 | M4 | M5 | M6 |
Input: Signal Intensity Values | |||||||
unlabeled_1 | 8.20E + 05 | 1.73E + 05 | 6.91E + 03 | 0.00E + 00 | 0.00E + 00 | 0.00E + 00 | 0.00E + 00 |
unlabeled_2 | 8.21E + 05 | 1.70E + 05 | 8.95E + 03 | 0.00E + 00 | 0.00E + 00 | 0.00E + 00 | 0.00E + 00 |
unlabeled_3 | 8.09E + 05 | 1.80E + 05 | 1.12E + 04 | 3.18E + 02 | 2.17E + 02 | 0.00E + 00 | 0.00E + 00 |
13C-Glc labeled_1 | 5.05E + 05 | 1.04E + 05 | 3.44E + 05 | 7.40E + 04 | 1.24E + 05 | 1.17E + 04 | 1.63E + 04 |
13C-Glc labeled_2 | 4.97E + 05 | 1.07E + 05 | 3.48E + 05 | 7.79E + 04 | 1.21E + 05 | 5.54E + 03 | 8.94E + 03 |
13C-Glc labeled_3 | 5.81E + 05 | 1.21E + 05 | 4.11E + 05 | 9.17E + 04 | 1.37E + 05 | 1.37E + 04 | 1.69E + 04 |
unlabeled_simulation | 769011.9 | 141396.2 | 12234.4 | 661.6 | 25 | 0.7 | 0 |
Output: % molar enrichment (normalised to unlabeled data) | |||||||
13C-Glc labeled_1 | 52.29 | −0.39 | 35.12 | 0.16 | 12.41 | −1.44 | 1.86 |
13C-Glc labeled_2 | 52.12 | 0.09 | 35.90 | 0.50 | 12.18 | −2.03 | 1.23 |
13C-Glc labeled_3 | 51.70 | −0.27 | 36.06 | 0.46 | 11.69 | −1.29 | 1.65 |
Output: % molar enrichment (normalised to simulated data) | |||||||
13C-Glc labeled_1 | 51.29 | 1.13 | 33.91 | 1.22 | 11.83 | −1.04 | 1.66 |
13C-Glc labeled_2 | 51.12 | 1.61 | 34.69 | 1.57 | 11.60 | −1.62 | 1.03 |
13C-Glc labeled_3 | 50.71 | 1.24 | 34.84 | 1.53 | 11.12 | −0.90 | 1.46 |