Clustering data with hclust algorithm for (Study ST003890)

HILIC POSITIVE ION MODE (Analysis AN006390)
MetaboliteStructureF1F2F3F4F5F6F7F8
Deoxycytidine_C12 PARENTME10288400.841.400.910.600.760.550.891.93
3-Aminoisobutyrate_C12 PARENTME10287151.240.840.660.650.741.331.311.14
GMP_C13-label-5ME10289061.231.06NA0.66NANANA1.17
Glutathione_C13-label-5ME10288860.601.291.110.580.880.561.191.67
Glycine_C13-label-1ME10288990.830.760.900.860.840.971.371.42
Glycine_C13-label-2ME10289000.820.750.980.890.731.091.291.40
Glutathione_C13-label-4ME10288850.651.070.690.990.810.961.641.14
Glycerophosphocholine_C13-label-2ME10288940.300.701.030.341.040.412.022.01
Glutathione_C13-label-3ME10288840.761.370.741.080.970.800.881.31
Glycerophosphocholine_C13-label-3ME10288950.680.931.121.030.710.491.181.89
Glycerophosphocholine_C13-label-4ME10288960.610.680.881.521.280.571.291.00
Glycine_C12 PARENTME10288980.980.810.931.391.021.010.970.98
Glycerol 3-phosphate_C13-label-1ME10288890.880.890.951.150.771.261.200.89
Glycerophosphocholine_C13-label-1ME10288930.940.521.031.181.320.801.201.12
Creatinine_C13-label-2ME10288250.621.191.291.131.250.620.791.04
Creatine phosphate_C13-label-1ME10288181.511.380.950.821.190.590.181.29
CMP_C13-label-2ME1028810NA0.900.891.070.820.801.131.04
Cystathionine_C12 PARENTME10288260.560.920.441.102.680.500.511.11
ADP_C12 PARENTME10287531.081.280.581.200.781.131.260.72
Arginine_C12 PARENTME10287770.701.030.801.011.300.800.761.50
Creatine phosphate_C13-label-2ME10288191.031.110.991.310.971.140.010.83
dAMP_C12 PARENTME10288320.441.410.791.491.140.671.090.98
Coenzyme A_C13-label-3ME10288161.201.63NA0.850.660.880.88NA
Deoxycytidine_C13-label-3ME10288420.600.491.011.941.790.761.000.15
Creatinine_C12 PARENTME10288230.680.711.101.340.730.810.891.77
Creatine_C13-label-2ME10288220.761.170.971.000.980.701.051.35
FAD_C13-label-1ME10288461.081.160.571.660.840.771.260.82
AMP_C13-label-1ME10287681.000.961.091.130.960.811.220.94
Adenine_C13-label-1ME10287450.560.871.311.090.850.621.331.41
AMP_C13-label-3ME10287710.860.980.971.200.850.601.611.10
Acetyl CoA_C12 PARENTME10287301.281.290.451.860.581.370.710.60
Asparagine_C12 PARENTME10287790.551.140.891.161.250.621.081.28
Adenosine_C13-label-4ME10287510.781.310.830.670.791.520.561.10
ADP_C13-label-2ME10287551.281.350.481.090.661.291.180.63
ADP_C13-label-3ME10287560.981.170.570.820.601.341.050.98
Adenosine_C12 PARENTME10287470.940.900.711.110.730.860.901.84
ADP-ribose_C13-label-3ME10287620.710.83NA1.151.450.721.18NA
ADP-ribose_C12 PARENTME10287591.000.970.561.311.151.101.020.91
Alanine_C13-label-2ME10287650.351.241.190.670.401.361.980.65
5-Deoxy-5-(methylthio)adenosine_C13-label-7ME10287290.661.291.310.991.020.940.671.07
Adenosine_C13-label-1ME10287480.741.040.721.331.140.670.961.41
Arginine_C13-label-1ME10287780.930.890.770.761.590.640.761.56
Coenzyme A_C13-label-2ME10288150.631.630.490.760.590.811.960.96
AMP_C13-label-2ME10287700.891.050.970.711.000.581.441.36
Aspartate_C12 PARENTME10287810.790.890.661.350.820.631.301.64
Cytidine_C12 PARENTME10288280.610.630.891.101.580.550.871.72
CDP-choline_C13-label-1ME10287950.640.840.651.261.330.771.051.42
Adenosine_C13-label-3ME10287500.811.100.741.460.630.491.201.71
Aspartate_C13-label-1ME10287820.560.861.371.111.060.640.921.48
Carnosine_C13-label-1ME10287931.090.330.511.731.610.401.771.15
Choline_C13-label-1ME10288060.671.130.751.131.021.031.370.86
CDP-choline_C12 PARENTME10287940.710.800.710.921.110.841.401.45
Choline_C12 PARENTME10288050.650.730.941.091.350.761.211.25
Carnitine_C12 PARENTME10287890.760.961.151.100.990.831.071.17
Carnitine_C13-label-1ME10287900.850.551.090.500.542.800.530.65
CDP-choline_C13-label-2ME10287960.660.870.731.231.030.671.291.53
CDP-ethanolamine_C13-label-3ME1028803NA0.89NA2.171.140.911.040.59
Adenosine_C13-label-5ME1028752NA1.350.101.101.001.08NANA
Deoxycytidine_C13-label-2ME10288410.990.590.741.792.560.510.190.09
ADP_C13-label-1ME10287541.431.320.511.070.721.221.110.67
Alanine_C12 PARENTME10287631.960.270.520.401.980.670.441.76
Adenine_C13-label-2ME10287460.440.521.291.350.820.581.521.47
Alanine_C13-label-1ME10287640.610.891.201.060.631.061.730.85
Cytosine_C13-label-1ME10288310.711.040.580.950.970.721.081.84
Deoxycarnitine_C13-label-1ME10288380.930.991.411.410.770.800.890.98
Carnitine_C13-label-2ME10287910.671.011.290.980.690.951.101.28
Choline_C13-label-2ME10288070.970.640.750.921.410.761.131.41
GDP_C13-label-1ME10288511.831.170.521.020.651.120.980.76
Coenzyme A_C12 PARENTME10288121.471.160.591.110.950.631.650.68
ADP-ribose_C13-label-1ME10287600.921.270.350.941.021.011.680.78
ADP-ribose_C13-label-2ME10287610.881.280.591.260.700.901.360.94
Asparagine_C13-label-1ME10287800.771.080.751.301.160.711.111.16
ATP_C12 PARENTME10287861.291.340.561.370.581.220.900.82
4-Aminobutyrate (GABA)_C12 PARENTME10287210.821.061.360.850.861.320.820.78
3-Methyladenine_C13-label-2ME10287190.460.681.260.740.492.130.21NA
3-Methylhistamine_C12 PARENTME10287201.020.700.650.851.130.640.722.22
4-Aminobutyrate (GABA)_C13-label-2ME10287230.631.821.060.800.471.661.060.27
3-Methyl-2-oxovalerate_C12 PARENTME10287161.161.130.710.980.880.901.031.23
4-Aminobutyrate (GABA)_C13-label-1ME10287220.751.511.100.820.711.230.900.81
Acetyl-arginine_C12 PARENTME10287390.920.800.661.332.400.640.470.77
Creatine_C13-label-1ME10288211.181.010.621.460.930.830.551.51
Anserine_C12 PARENTME10287740.770.820.941.490.850.800.941.47
Aspartate_C13-label-3ME10287840.340.831.100.940.870.861.571.41
CDP-choline_C13-label-3ME10287970.610.780.621.001.260.651.371.52
AMP_C13-label-5ME10287730.450.860.601.380.900.700.911.50
Aspartate_C13-label-4ME10287850.660.720.951.230.901.140.961.37
CDP-ethanolamine_C12 PARENTME10288000.670.820.761.441.150.600.991.62
FAD_C12 PARENTME10288450.941.050.721.440.860.651.610.94
Creatine_C12 PARENTME10288200.881.031.071.060.941.020.691.25
Creatine phosphate_C12 PARENTME10288171.601.241.001.371.260.420.281.09
Creatinine_C13-label-1ME10288240.430.930.991.330.890.681.011.71
Dimethyl-arginine_C13-label-1ME10288440.851.051.061.040.820.820.941.41
GDP_C12 PARENTME10288501.511.010.511.110.821.131.130.89
FAD_C13-label-2ME10288470.760.77NA0.930.781.131.690.11
Cytidine_C13-label-1ME10288290.850.540.640.582.100.610.751.61
AMP_C13-label-10ME1028769NANA0.940.85NANA1.191.09
Carnosine_C12 PARENTME10287920.590.740.941.530.920.650.831.85
Acetyl CoA_C13-label-2ME10287362.001.050.471.770.280.710.910.51
ATP_C13-label-2ME10287881.911.230.410.520.700.881.090.81
CDP-ethanolamine_C13-label-2ME10288020.940.850.821.221.020.661.301.30
AMP_C13-label-4ME10287720.821.030.630.961.200.441.491.49
Adenosine_C13-label-2ME10287490.770.930.781.051.080.651.061.66
ATP_C13-label-1ME10287871.571.280.560.990.431.261.040.87
CDP-ethanolamine_C13-label-1ME10288010.720.710.801.291.010.551.321.68
GDP_C13-label-2ME10288530.151.421.301.330.130.941.271.34
Deoxycarnitine_C13-label-2ME10288390.740.691.161.390.980.821.001.31
Dimethyl-arginine_C12 PARENTME10288430.910.961.211.390.830.481.231.21
Aconitate_C12 PARENTME10287421.070.710.841.300.990.940.991.25
Aconitate_C13-label-1ME10287430.101.230.960.971.111.111.001.34
Glycerol 3-phosphate_C13-label-2ME10288900.451.740.590.430.391.501.840.73
Alanine_C13-label-3ME10287660.641.131.100.940.800.981.191.14
Aspartate_C13-label-2ME10287830.441.001.290.880.590.731.891.18
Glutathione_C12 PARENTME10288810.490.510.420.620.913.130.450.75
GMP_C13-label-2ME10289030.750.970.771.370.900.681.231.41
AMP_C12 PARENTME10287672.140.830.860.980.422.040.530.28
Cytosine_C12 PARENTME10288300.801.310.701.210.890.750.621.67
GTP_C12 PARENTME10289082.141.320.551.040.710.980.840.60
CMP_C12 PARENTME10288080.840.790.731.501.220.661.101.28
Anserine_C13-label-1ME10287750.611.051.031.620.780.561.101.40
GMP_C13-label-4ME10289050.851.141.141.020.750.601.051.12
3-Methyladenine_C12 PARENTME10287180.800.810.910.810.531.361.181.46
Adenine_C12 PARENTME10287440.530.810.691.551.250.651.031.51
Acetyl-arginine_C13-label-1ME10287401.180.740.460.943.640.300.430.45
GMP_C13-label-3ME10289040.690.950.781.470.830.571.371.35
3-Methyl-2-oxovalerate_C13-label-3ME10287170.580.541.021.260.961.031.311.29
GMP_C12 PARENTME10289010.780.860.851.201.300.750.961.32
GMP_C13-label-1ME10289020.940.880.781.161.080.741.181.31
Acetyl CoA_C13-label-1ME10287312.091.350.421.650.461.170.700.50
CMP_C13-label-1ME10288090.800.560.841.621.080.701.181.35
Glucose 6-phosphate_C12 PARENTME10288581.181.390.391.300.272.480.360.38
Glucosamine_C12 PARENTME10288540.971.330.491.470.392.400.350.36
Glutamate_C13-label-2ME10288640.170.871.150.680.840.922.101.15
Glycerophosphocholine_C12 PARENTME10288922.560.890.290.350.692.150.600.41
4-Guanidinobutyrate_C12 PARENTME10287240.350.431.390.870.360.752.311.61
4-Guanidinobutyrate_C13-label-1ME10287250.170.221.070.530.980.891.682.23
Glucosamine_C13-label-6ME10288571.321.000.571.071.171.180.521.05
5-Deoxy-5-(methylthio)adenosine_C13-label-5ME10287280.220.361.371.711.070.991.521.07
GTP_C13-label-1ME10289090.821.14NA0.95NA1.081.39NA
Guanine_C13-label-5ME10289190.980.900.731.330.550.961.111.45
Guanidinosuccinic acid_C13-label-2ME10289150.401.872.590.740.410.600.520.53
Hypotaurine_C12 PARENTME10289260.910.620.661.150.981.171.361.15
Hypoxanthine_C12 PARENTME10289291.071.260.671.641.221.090.800.36
Hypoxanthine_C13-label-2ME10289310.690.950.770.691.150.831.461.35
Guanidinosuccinic acid_C12 PARENTME10289131.142.012.282.830.090.150.220.04
Homoarginine_C12 PARENTME10289240.590.480.450.281.170.681.152.86
2 4-Dihydroxyacetophenone_C12 PARENTME10287060.761.120.931.051.000.791.061.26
2-Aminoadipic acid_C13-label-1ME10287080.500.470.600.592.370.520.951.74
2-Aminoadipic acid_C13-label-2ME10287090.510.660.470.512.860.670.781.08
2-Aminoisobutyrate_C12 PARENTME10287101.111.090.951.250.401.020.811.43
Homoarginine_C13-label-1ME10289250.670.410.480.751.280.560.772.72
Hypoxanthine_C13-label-1ME10289300.731.041.070.951.150.761.031.23
Guanidineacetic acid_C12 PARENTME10289100.680.871.180.931.040.911.001.32
Guanosine_C13-label-1ME10289210.520.811.230.761.080.760.351.64
Guanidinosuccinic acid_C13-label-1ME10289140.671.812.191.190.550.270.210.09
Guanine_C13-label-1ME10289180.760.760.841.360.980.751.031.58
IMP_C12 PARENTME10289321.181.350.470.880.601.491.030.87
Guanosine_C12 PARENTME10289200.910.700.651.181.350.660.661.87
Histamine_C13-label-1ME10289231.110.730.641.060.871.001.261.37
Hypotaurine_C13-label-1ME10289270.640.410.480.623.050.690.890.96
Glucose 6-phosphate_C13-label-3ME10288610.681.23NA0.53NA1.590.430.54
Glutaryl-Carnitine_C13-label-1ME10288730.400.391.511.001.060.651.161.80
Glutamate_C12 PARENTME10288620.400.621.190.760.871.391.351.21
Glutaryl-Carnitine_C13-label-2ME10288740.450.421.300.910.820.500.962.56
Glutaryl-Carnitine_C13-label-3ME10288750.32NA0.830.551.050.720.962.06
Glutamine_C13-label-2ME10288690.811.211.370.470.621.151.660.64
Glutaryl-Carnitine_C12 PARENTME10288720.581.230.550.350.811.021.741.45
Glucosamine_C13-label-2ME10288560.721.110.48NA0.691.291.100.53
5-Deoxy-5-(methylthio)adenosine_C12 PARENTME10287260.170.460.890.740.900.841.422.34
Glutathione Disulfide_C13-label-1ME10288780.801.061.031.410.990.720.731.33
Glutathione_C13-label-2ME10288830.720.810.631.051.131.021.401.18
Glycerol 3-phosphate_C12 PARENTME10288880.821.000.830.880.661.091.551.13
2-Hydroxypyridine_C12 PARENTME10287130.761.300.740.941.020.981.131.03
2-methylcitrate_C12 PARENTME10287140.580.970.770.961.580.970.821.14
2-Aminoisobutyrate_C13-label-1ME10287111.131.080.441.211.220.900.811.23
2-Deoxy-D-glucose_C12 PARENTME10287120.921.050.750.880.880.801.031.59
Guanidinosuccinic acid_C13-label-3ME10289160.031.061.540.40NA0.890.30NA
Glutathione_C13-label-1ME10288821.250.881.181.040.640.501.001.69
Histamine_C12 PARENTME10289221.170.821.110.900.850.531.171.58
Guanidineacetic acid_C13-label-1ME10289110.570.741.110.940.980.721.201.69
Guanidineacetic acid_C13-label-2ME10289120.590.730.780.760.960.801.761.44
Guanine_C12 PARENTME10289170.890.840.721.450.820.661.081.66
Glycerol 3-phosphate_C13-label-3ME10288911.001.220.530.950.680.991.121.45
Glutathione Disulfide_C13-label-2ME10288800.301.021.131.340.930.900.981.34
Glyceraldehyde-3-phosphate_C12 PARENTME10288870.721.071.091.250.381.071.201.25
Glucosamine_C13-label-1ME10288550.771.130.401.130.241.870.790.30
2-Aminoadipic acid_C12 PARENTME10287070.821.081.300.990.930.731.650.62
Glutamine_C12 PARENTME10288670.820.950.881.340.960.841.101.17
Glutamine_C13-label-1ME10288680.650.851.510.461.021.430.581.20
Glutamate_C13-label-1ME10288630.520.360.991.091.251.171.131.37
Glutathione Disulfide_C12 PARENTME10288770.830.881.031.530.740.690.461.93
Glutamate_C13-label-3ME10288650.340.801.330.650.751.011.951.07
1-Methyladenosine_C13-label-2ME10287030.901.961.930.420.711.750.120.06
1-Methyladenosine_C12 PARENTME10287010.270.291.260.730.660.321.491.98
Glucose 6-phosphate_C13-label-2ME10288600.760.900.471.410.271.950.440.27
Glutamate_C13-label-4ME10288660.400.671.410.960.710.682.091.15
5-Deoxy-5-(methylthio)adenosine_C13-label-1ME1028727NA0.610.590.660.320.541.502.45
1-Methyladenosine_C13-label-3ME10287040.971.741.490.670.481.840.350.22
1-Methyladenosine_C13-label-6ME10287050.831.281.680.450.511.570.330.44
Glutamine_C13-label-4ME10288710.750.941.031.280.620.881.231.34
Glucose 6-phosphate_C13-label-1ME10288591.101.550.540.900.262.240.460.41
Glutamine_C13-label-3ME10288700.611.330.910.910.691.071.251.11
dAMP_C13-label-7ME10288350.611.020.881.201.300.830.971.15
dAMP_C13-label-8ME10288360.731.020.871.011.130.921.181.09
Coenzyme A_C13-label-1ME10288131.551.250.341.090.700.861.530.76
Cystathionine_C13-label-1ME10288270.801.050.410.872.450.680.760.66
Deoxycarnitine_C12 PARENTME10288371.090.641.001.071.361.120.840.89

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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