Clustering data with hclust algorithm for (Study ST003891)

HILIC NEGATIVE ION MODE (Analysis AN006393)
MetaboliteStructureF1F2F3F4F5F6F7F8
Acetoacetate_C13-label-1ME10298311.321.160.820.591.250.591.271.04
3-Methyl-2-oxovalerate_C13-label-1ME10297781.071.010.990.791.260.850.871.11
Inosine_C13-label-1ME10298350.781.840.271.450.221.480.520.22
N-Acetyl-phenylalanine_C12 PARENTME10297880.951.311.110.831.340.940.500.89
GMP_C13-label-2ME1030056NA0.01NA1.66NA0.920.84NA
Homovanillic acid_C12 PARENTME10298100.770.831.131.221.300.900.741.11
Inositol_C12 PARENTME10299770.850.980.710.521.521.240.741.14
2-Deoxyuridine_C13-label-2ME10297931.401.150.931.120.510.880.771.13
3-Hydroxy-3-methylglutarate_C12 PARENTME10299720.851.410.830.781.000.800.871.34
3-Hydroxy-3-methylglutarate_C13-label-1ME10299730.971.520.900.821.150.871.140.60
IMP_C13-label-1ME10300381.071.511.351.570.950.810.490.44
Glutamate_C12 PARENTME10300060.690.951.061.291.190.880.901.04
Glycerol 3-phosphate_C13-label-3ME1030034NA1.830.742.630.120.631.490.21
N-Acetyl-Leucine_C13-label-2ME10297970.470.96NA1.570.951.500.721.33
Glycerate_C13-label-1ME10298960.701.191.140.860.970.851.610.66
3-Methyladenine_C12 PARENTME10298081.031.010.630.831.141.050.951.26
N-Acetyl-L-alanine_C13-label-3ME10298701.001.590.711.030.451.091.360.83
2-Aminoadipic acid_C12 PARENTME10300231.000.550.761.171.850.870.900.93
Glucose_C13-label-6ME10299171.931.450.630.741.280.680.480.92
Hypotaurine_C12 PARENTME10299350.660.650.971.320.790.811.281.62
Glutaric acid_C12 PARENTME10299800.790.871.441.111.131.060.790.80
Glutamine_C13-label-1ME10299530.941.300.911.150.850.990.751.09
Methionine_C12 PARENTME10298741.111.330.651.200.861.310.590.88
2-Ketoisovalerate_C12 PARENTME10297840.831.071.120.671.120.970.991.10
N-Acetyl-aspartate_C12 PARENTME10300000.670.760.700.812.171.430.450.67
2-Ketoisovalerate_C13-label-1ME10297850.921.191.220.571.230.900.890.96
Glycerate_C12 PARENTME10298950.800.990.760.801.171.161.191.00
Creatine phosphate_C12 PARENTME10300350.890.730.920.951.580.710.871.32
Aspartate_C13-label-1ME10300150.660.971.061.031.310.781.001.15
Glucose_C13-label-5ME10299161.461.270.641.081.011.080.600.90
Methyl Galactoside_C12 PARENTME10298490.861.380.820.451.110.681.441.14
N-Acetyl-glutamate_C12 PARENTME10299820.980.911.420.820.891.221.080.68
2-Deoxy-D-glucose_C13-label-2ME10298421.171.310.780.911.161.210.600.77
Glutamate_C13-label-1ME10300070.491.091.231.211.180.980.980.79
Glucuronic acid_C13-label-6ME10299911.311.010.681.311.100.840.551.29
Glucuronic acid_C13-label-5ME10299901.291.050.621.400.781.020.651.21
Malate_C13-label-1ME10300200.361.262.110.640.430.851.990.40
3-Hydroxybutyrate_C13-label-1ME10298601.091.080.900.591.100.761.500.98
2-Oxoadipic acid_C13-label-1ME10299510.630.500.890.882.530.510.810.74
GMP_C13-label-1ME10300590.561.910.311.750.941.381.050.49
GMP_C12 PARENTME10300550.401.140.202.880.832.091.200.33
Lysine_C13-label-1ME10300730.871.100.590.711.651.090.790.98
Methyl Galactoside_C13-label-2ME10298510.771.331.250.900.790.881.350.73
2-Hydroxypyridine_C13-label-1ME10297740.760.741.100.961.291.340.690.88
N-Acetylglycine_C13-label-1ME10298881.391.320.720.990.830.831.120.91
Glutamine_C13-label-4ME10299561.141.050.791.141.590.750.760.84
Glycine_C13-label-1ME10299430.661.571.181.280.950.940.620.76
Glutamine_C13-label-3ME10299550.961.330.980.881.060.961.100.72
N-Acetyl-aspartate_C13-label-1ME10300021.650.940.770.701.711.180.400.60
N-Acetyl-glutamate_C13-label-2ME1029984NANA0.59NA0.552.060.58NA
2-Deoxyuridine_C13-label-1ME10297921.060.670.991.221.410.660.691.39
2-Keto-3-deoxy-D-gluconate_C12 PARENTME10298930.731.310.381.091.341.060.950.99
Glutamine_C12 PARENTME10299521.010.561.063.430.600.930.500.55
Glucuronic acid_C13-label-3ME10299881.250.990.801.220.860.860.811.31
Histidine_C12 PARENTME10300040.650.980.781.011.311.300.531.19
Leucine_C12 PARENTME10298541.021.170.390.511.191.051.081.37
Leucine_C13-label-1ME10298550.650.960.800.931.951.040.540.91
Lysine_C12 PARENTME10300720.821.220.670.981.341.310.520.92
3-Methyl-2-oxovalerate_C12 PARENTME10297770.911.501.860.370.500.781.160.89
Aconitate_C13-label-1ME10300401.281.291.441.120.720.920.560.81
Acetyl-tryptophan_C12 PARENTME10297900.961.261.180.691.160.930.780.95
Glucose_C13-label-4ME10299151.521.340.481.310.761.170.730.79
Alanine_C12 PARENTME10299310.701.061.141.091.331.190.500.85
Aconitate_C12 PARENTME10300391.100.971.371.090.830.920.850.97
Alanine_C13-label-1ME10299320.701.440.740.810.951.331.050.76
Glucose_C13-label-3ME10299141.351.300.900.950.741.380.750.61
Alanine_C13-label-2ME10299330.881.451.100.520.631.541.110.55
Alpha-Ketoglutarate_C13-label-3ME10299640.740.652.290.390.950.581.710.59
Anserine_C12 PARENTME10300210.731.210.610.811.481.121.020.82
Arabitol_C13-label-3ME10298801.141.121.141.130.95NA0.660.95
Creatine_C13-label-1ME10299300.951.380.550.981.680.910.600.83
Glutamate_C13-label-2ME10300080.421.191.191.011.291.111.060.58
Glucose 6-phosphate_C13-label-6ME1030065NA1.87NA1.040.72NANA0.33
Arabitol_C12 PARENTME10298780.740.961.010.840.940.850.961.61
Arginine_C12 PARENTME10300701.161.190.491.321.360.900.531.06
2-Hydroxypyridine_C12 PARENTME10297730.930.801.110.931.131.130.851.04
Lactate_C12 PARENTME10298620.881.191.171.030.871.060.950.83
N-Acetyl-methionine_C12 PARENTME10298010.730.881.520.690.811.370.990.86
Glutaric acid_C13-label-1ME10299810.661.031.371.131.160.890.830.92
N-Acetyl-phenylalanine_C13-label-1ME10297891.051.600.820.511.171.310.690.46
Leucine_C13-label-2ME10298560.870.760.881.171.301.100.781.12
Lactate_C13-label-3ME10298650.730.930.301.851.031.260.551.31
Glycerol 3-phosphate_C12 PARENTME10300320.791.341.031.171.050.970.451.11
Isocitrate_C12 PARENTME10300600.761.871.341.510.610.480.730.85
2-Deoxy-D-glucose_C13-label-1ME10298410.881.100.940.881.001.071.280.80
Isocitrate_C13-label-1ME10300610.442.021.461.800.570.280.630.98
Cytidine_C12 PARENTME10298571.250.881.211.461.050.540.881.01
Glucose 6-phosphate_C13-label-3ME10300640.531.130.671.430.991.280.570.73
Lactate_C13-label-2ME10298641.131.441.140.850.670.821.200.81
Asparagine_C13-label-1ME10299590.981.250.741.220.931.060.880.97
Citrate_C12 PARENTME10300660.401.260.930.960.901.181.011.15
Acetylcholine_C13-label-1ME10298330.931.310.731.010.781.610.870.59
Acetyl-serine_C12 PARENTME10298850.771.241.130.950.811.200.591.17
Glutamine_C13-label-5ME10299570.881.00NA1.041.140.96NA0.90
Malate_C12 PARENTME10300170.531.102.630.340.370.921.320.77
2-Deoxyuridine_C12 PARENTME10297911.050.940.971.211.110.810.701.26
Citramalate_C13-label-2ME10299981.020.831.311.090.860.761.310.96
Aconitate_C13-label-2ME10300410.961.471.880.810.410.831.100.64
Alpha-Ketoglutarate_C13-label-1ME10299620.701.001.530.750.690.671.940.81
Arabinose_C13-label-1ME10298770.681.170.860.900.571.201.131.30
Alpha-Ketoglutarate_C12 PARENTME10299610.700.881.670.800.590.821.730.89
Carnosine_C12 PARENTME10300250.641.010.491.091.811.190.850.73
Citramalate_C12 PARENTME10299960.790.781.591.421.000.890.780.87
Allantoin_C13-label-1ME10298200.981.080.980.681.131.110.990.94
AMP_C13-label-1ME10300280.100.66NA2.520.561.011.930.09
Cystine_C13-label-1ME10300310.700.78NANA4.000.70NA0.05
Erythritol_C12 PARENTME10298390.461.030.760.960.511.460.861.59
Carnosine_C13-label-1ME10300260.850.970.371.281.511.290.880.68
Deoxycytidine_C12 PARENTME10298240.831.571.271.270.701.140.710.56
Glycine_C12 PARENTME10299421.211.381.011.380.740.830.880.74
2-Hydroxybutyrate_C12 PARENTME10298260.811.251.580.470.971.150.980.65
Methionine_C13-label-1ME10298750.951.050.761.251.131.120.641.10
Arabinose_C12 PARENTME10298760.351.121.210.760.701.181.021.41
3-Methyl-2-oxovalerate_C13-label-2ME10297791.040.831.390.911.410.620.920.95
N-Acetyl-aspartate_C13-label-2ME10300031.01NANA0.970.181.84NANA
Glucuronic acid_C13-label-4ME10299891.141.080.721.181.230.880.920.90
Histidine_C13-label-1ME10300050.940.751.041.081.131.090.831.12
Glucose_C13-label-1ME10299120.901.371.040.870.811.260.980.67
Malate_C13-label-2ME10300180.280.972.300.400.351.341.900.34
Fumarate_C12 PARENTME10299680.711.071.490.890.841.181.050.72
Glucose 6-phosphate_C12 PARENTME10300620.611.280.851.500.851.220.750.87
Isoleucine_C13-label-2ME10298731.071.050.660.811.480.840.721.04
Alanine_C13-label-3ME10299341.121.370.950.700.711.071.001.01
AMP_C13-label-2ME1030029NA0.47NA1.491.010.651.28NA
Citramalate_C13-label-3ME10299990.890.801.331.240.860.971.030.96
Creatine phosphate_C13-label-1ME10300361.720.95NA0.761.06NA0.960.97
Fructose 6-phosphate_C12 PARENTME10300500.611.280.851.500.851.220.750.87
Arabitol_C13-label-1ME10298790.910.861.221.050.800.990.901.28
Fructose 6-phosphate_C13-label-3ME10300530.531.130.671.430.991.280.570.73
Inositol_C13-label-1ME10299780.741.030.840.861.461.120.731.03
Malate_C13-label-3ME10300190.211.341.830.380.371.611.710.28
Citrulline_C12 PARENTME10299741.230.840.770.671.640.980.561.18
Citrulline_C13-label-2ME10299760.900.700.601.831.270.940.771.02
Arginine_C13-label-1ME10300711.011.080.621.181.600.830.601.05
Creatinine_C13-label-1ME10298180.790.980.710.660.960.760.782.17
Citrulline_C13-label-1ME10299750.990.850.691.141.511.040.641.07
Aconitate_C13-label-3ME10300421.221.382.070.780.480.900.690.51
Alpha-Ketoglutarate_C13-label-2ME10299630.570.802.160.520.551.081.920.43
3-Methyladenine_C13-label-1ME1029809NA0.140.801.03NA1.401.101.05
3-Hydroxybutyrate_C12 PARENTME10298590.490.270.361.051.491.280.312.39
N-Acetylglycine_C12 PARENTME10298871.320.580.951.130.940.591.431.31
2-Oxoadipic acid_C12 PARENTME10299500.730.731.190.872.010.700.920.79
Isoleucine_C13-label-1ME10298721.091.290.950.890.980.860.851.07
Glutamine_C13-label-2ME10299540.751.140.701.141.051.101.270.80
2-Deoxy-D-glucose_C12 PARENTME10298400.811.050.730.720.981.281.221.03
Isoleucine_C12 PARENTME10298711.461.220.680.931.030.901.120.80
2-Aminoadipic acid_C13-label-1ME10300240.640.550.631.271.920.930.651.33
Methyl Galactoside_C13-label-3ME10298520.751.530.990.380.960.531.291.46
Acetyl-serine_C13-label-1ME10298860.511.130.861.141.100.931.021.14
Glycine_C13-label-2ME10299441.930.581.170.881.011.140.630.85
Citrate_C13-label-1ME10300670.491.120.861.591.051.100.960.80
Deoxycytidine_C13-label-1ME10298250.121.041.351.020.851.230.131.04
Galactitol_C12 PARENTME10299220.611.000.561.141.120.890.941.61
AMP_C12 PARENTME10300270.091.780.033.490.760.840.950.10
Asparagine_C13-label-2ME10299601.300.13NA1.14NA1.08NA1.13
Mevalonate_C13-label-1ME1029844NA0.970.940.830.860.920.811.42
Anserine_C13-label-1ME10300221.371.090.410.741.311.081.270.39
Citramalate_C13-label-1ME10299971.031.111.541.380.760.560.831.03
Asparagine_C12 PARENTME10299580.961.210.891.041.080.990.781.00
Fumarate_C13-label-3ME10299710.901.581.19NA0.660.891.020.80
Glycerol 3-phosphate_C13-label-1ME10300330.521.280.951.540.950.790.930.97
Allantoin_C12 PARENTME10298190.860.510.410.600.980.712.831.17
Aspartate_C13-label-2ME10300160.911.010.731.451.081.220.860.86
Acetylcholine_C12 PARENTME10298321.151.300.930.710.821.470.790.68
Isovalerylglycine_C12 PARENTME10297981.461.260.690.580.790.700.611.86
Glutamate_C13-label-3ME10300090.101.150.761.101.770.890.920.74
Methionine sulfoxide_C12 PARENTME10299490.690.931.411.100.901.250.630.99
Homovanillic acid_C13-label-1ME10298110.740.991.301.081.200.650.881.20
N-Acetyl-L-alanine_C13-label-1ME10298690.801.271.440.260.761.211.050.99
N-Acetyl-Leucine_C13-label-1ME10297961.691.370.350.990.820.490.601.81
Mevalonate_C12 PARENTME10298430.830.711.060.860.880.751.291.62
Cystine_C12 PARENTME10300301.301.810.431.661.310.980.130.21
Fructose 6-phosphate_C13-label-1ME10300510.651.371.021.480.701.130.880.71
Fumarate_C13-label-2ME1029970NA0.681.650.500.601.081.570.34
Fucose_C13-label-1ME10298671.010.641.140.830.961.190.971.19
Glucose 6-phosphate_C13-label-1ME10300630.631.330.991.430.681.091.130.68
Creatine_C12 PARENTME10299290.811.240.621.081.490.890.651.10
Methyl-histidine_C13-label-1ME1029967NA1.410.010.991.341.270.520.83
Isovalerylglycine_C13-label-1ME10297991.401.160.441.230.480.610.522.17
Creatinine_C12 PARENTME10298170.890.960.970.890.990.550.672.03
Fucose_C12 PARENTME10298660.690.771.021.031.121.131.071.08
Fructose 6-phosphate_C13-label-2ME1030052NA0.950.921.230.691.460.910.73
Fumarate_C13-label-1ME10299690.530.921.180.650.631.621.470.77
Glyceraldehyde-3-phosphate_C13-label-3ME1030049NA1.02NA1.580.72NA0.69NA
Glyceraldehyde-3-phosphate_C12 PARENTME10300470.861.660.420.780.971.390.770.88
Allantoin_C13-label-2ME10298211.341.010.411.290.721.180.701.45
Cytidine_C13-label-1ME10298580.640.891.021.940.940.720.991.02
Inosine_C12 PARENTME10298340.862.400.271.320.711.610.520.10
Aspartate_C12 PARENTME10300130.920.711.430.841.121.080.870.99
Glucuronic acid_C12 PARENTME10299850.701.060.770.950.980.950.821.61
3-Hydroxybutyrate_C13-label-2ME10298610.980.981.530.730.580.941.051.22
Glucuronic acid_C13-label-2ME10299871.011.310.991.090.760.931.130.84
IMP_C12 PARENTME10300370.571.490.281.941.840.900.660.40
Methyl Galactoside_C13-label-1ME10298500.431.121.090.431.090.741.391.32
N-Acetyl-glutamate_C13-label-1ME10299830.430.891.120.681.151.461.120.20
Acetoacetate_C12 PARENTME10298300.731.161.120.641.220.551.261.26
N-Acetyl-Leucine_C12 PARENTME10297951.431.380.520.810.790.530.611.94
Galactitol_C13-label-1ME10299230.741.200.590.721.590.990.581.40
Glucose_C12 PARENTME10299111.231.870.450.940.830.361.441.02
Glucose_C13-label-2ME10299130.971.721.050.430.521.351.210.57
Lactate_C13-label-1ME10298630.900.300.390.781.201.711.271.21
N-Acetyl-L-alanine_C12 PARENTME10298680.661.311.260.780.771.170.900.99
Glucuronic acid_C13-label-1ME10299860.931.150.980.990.640.990.951.34
Methyl-histidine_C12 PARENTME10299660.621.120.790.960.961.261.061.06

Factors:

F1Diet:Control | | Genotype:KP
F2Diet:Control | | Genotype:PGKP
F3Diet:Control | | Genotype:PolG
F4Diet:Control | | Genotype:wt
F5Diet:Ser/Gly free | | Genotype:KP
F6Diet:Ser/Gly free | | Genotype:PGKP
F7Diet:Ser/Gly free | | Genotype:PolG
F8Diet:Ser/Gly free | | Genotype:wt
Data matrix
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