Clustering data with hclust algorithm for FASN effect on HCT116 metabolism probed by 13C6-glucose tracer (Study ST001045)

Targeted GC POSITIVE ION MODE (Analysis AN001709)
MetaboliteStructureF1F2F3F4
Orn-13C5ME2527480.040.081.351.27
t-aconitate-13C1ME2528741.40NA0.431.24
Lys-13C1ME2527160.201.211.300.99
t-aconitate-ALLME2528800.780.701.320.85
t-aconitate-13C6ME252879NANA1.190.81
Tyr-13C8ME2528061.06NA0.94NA
Succinate-13C4ME2527770.190.131.321.24
Thr-ALLME2527840.830.801.280.85
pyroGlu-13C3ME252869NANA1.120.88
Pro-13C4ME2527650.050.331.161.37
Ser-13C2ME2527700.42NA0.711.39
Trp-13C0ME2527850.800.321.520.77
pyroGlu-13C4ME2528700.040.030.871.77
Pro-13C0ME2527611.051.081.120.83
Succinate-ALLME2527780.630.791.290.90
Ile-13C0ME2526990.780.771.250.90
Arg-13C0ME2526420.620.611.320.94
Ile-13C3ME2527020.452.600.040.97
lactate-13C2ME2528630.20NA1.241.02
Ser-13C1ME2527690.451.111.490.66
t-aconitate-13C3ME252876NANA1.250.75
Ser-13C0ME2527680.920.881.250.82
t-aconitate-13C4ME252877NANA1.180.82
Arg-13C2ME2526440.310.431.061.38
Lys-13C4ME252719NA0.761.24NA
Ser-ALLME2527720.870.881.260.82
Val-13C0ME2528090.710.791.250.91
Glu-13C0ME2526801.201.391.020.79
Gly-13C1ME2526881.861.031.080.63
GAB-13C1ME2526681.090.321.380.82
Gln-13C2ME2526751.120.241.300.92
Asn-13C3ME2526530.05NA1.241.08
Leu-13C2ME2527090.03NA1.32NA
citrate-13C2ME2528490.030.041.601.05
Leu-13C6ME2527130.45NA2.020.53
Leu-ALLME2527140.750.771.230.93
Lys-13C0ME2527150.560.711.241.01
ascorbate-13C0ME2528330.681.07NA1.12
Asn-13C1ME2526510.200.551.271.15
fumarate-13C2ME2528570.020.101.371.26
GAB-13C3ME2526700.482.510.820.79
Arg-ALLME2526490.660.631.250.98
Orn-13C1ME252744NA0.311.191.04
a-glycerol-3P_#1-13C0ME2528161.321.890.730.87
ascorbate-13C4ME2528371.020.67NA1.15
ascorbate-13C2ME2528351.040.97NA1.00
Arg-13C4ME252646NA1.531.090.65
Tyr-ALLME2528080.760.771.250.90
Malate-13C0ME2527231.151.590.870.88
pyroGlu-13C0ME2528660.911.121.120.87
Ile-ALLME2527060.810.781.220.92
Lys-13C3ME252718NANA1.630.37
a-glycerol-3P_#1-13C1ME2528171.520.470.941.04
Gln-13C4ME252677NA0.381.021.18
a-glycerol-3P_#2-13C0ME2528211.431.740.810.80
Tyr-13C0ME2527980.780.751.250.91
citrate-ALLME2528540.920.871.210.86
citrate-13C4ME2528510.01NA1.350.98
t-aconitate-13C0ME2528731.952.070.800.53
Glu-13C4ME252684NA0.011.181.15
OHPro-13C1ME2527370.881.050.951.07
Thr-13C0ME2527790.850.801.270.85
Asn-13C4ME2526540.130.051.401.20
Pro-13C3ME2527640.030.141.381.23
pyroGlu-13C1ME2528670.600.821.151.04
pyroGlu-13C2ME252868NANA0.971.03
Gln-ALLME2526790.810.821.220.91
Gly-13C2ME252689NA0.730.561.53
Gln-13C5ME2526780.030.590.911.74
lactate-13C0ME2528611.191.880.930.71
Tyr-13C7ME2528051.071.43NA0.75
Glu-13C3ME2526830.04NA1.251.08
Ile-13C5ME252704NA0.640.871.20
Met-ALLME2527350.800.761.300.84
Gln-13C0ME2526730.820.831.210.90
Pro-13C2ME252763NANA1.210.79
GAB-13C2ME2526691.100.001.560.61
Arg-13C1ME2526430.930.581.051.11
pyroGlu-13C5ME2528710.130.071.301.30
a-ketoglutarate-13C2ME2528280.13NA1.271.02
Tyr-13C2ME2528000.450.911.091.12
lactate-13C3ME2528640.020.041.351.30
GAB-ALLME2526720.970.751.300.79
Trp-13C2ME2527890.42NANA1.19
Met-13C2ME2527310.890.751.290.83
bOHbutyrate-13C2ME2528430.46NA1.450.64
a-glycerol-3P_#2-13C1ME252822NA0.111.450.84
Glu-13C2ME2526820.060.051.431.20
OHPro-ALLME2527420.830.801.260.87
Val-13C5ME2528141.42NA0.58NA
Met-13C0ME2527290.800.711.330.84
fumarate-ALLME2528600.770.821.150.99
Lys-ALLME2527220.540.811.240.98
Gln-13C1ME2526740.580.841.310.88
Malate-13C3ME252726NA0.051.111.20
bOHbutyrate-13C1ME252842NA0.431.171.03
Glu-13C1ME2526810.741.071.210.85
Glu-13C5ME252685NA0.051.151.16
OHPro-13C0ME2527360.830.761.290.84
Met-13C3ME2527320.872.750.201.39
a-glycerol-3P_#2-13C2ME252823NA0.271.211.05
a-glycerol-3P_#2-13C3ME252824NANA1.140.86
OHPro-13C5ME252741NA2.720.480.32
Glu-ALLME2526860.800.941.150.93
Tyr-13C5ME2528030.67NA1.151.03
Tyr-13C1ME2527990.630.911.290.86
OHPro-13C2ME252738NA1.160.591.08
Tyr-13C6ME2528040.12NA2.530.34
Met-13C4ME2527330.790.761.220.93
Leu-13C5ME252712NANA1.480.04
Malate-13C2ME2527250.090.011.241.39
a-glycerol-3P_#2-ALLME2528250.660.831.210.96
OHPro-13C4ME2527400.760.011.800.88
a-glycerol-3P_#1-ALLME2528200.761.081.011.04
Val-ALLME2528150.730.801.230.92
a-glycerol-3P_#1-13C3ME2528190.000.041.361.29
Asn-13C2ME252652NA0.021.161.16
t-aconitate-13C5ME252878NANA1.180.82
Trp-13C11ME252788NANA1.220.78
Asp-ALLME2526610.811.001.080.98
Thr-13C4ME252783NANA1.380.25
Gln-13C3ME252676NANA0.771.23
Succinate-13C3ME2527760.531.080.841.29
Ile-13C4ME2527031.61NA1.330.06
ascorbate-13C3ME2528360.950.63NA1.21
bOHbutyrate-13C0ME2528410.830.751.121.02
Met-13C5ME252734NANA0.691.16
fumarate-13C1ME2528560.520.691.191.08
Gly-13C0ME2526870.850.871.180.91
Succinate-13C1ME2527740.671.221.120.92
Succinate-13C2ME2527750.320.241.530.95
citrate-13C1ME2528481.270.641.310.72
Tyr-13C9ME252807NA1.810.750.95
lactate-13C1ME2528620.721.051.190.89
Succinate-13C0ME2527730.670.791.310.87
Trp-13C5ME2527921.08NA0.92NA
pyroGlu-ALLME2528720.740.921.150.96
Leu-13C1ME2527080.370.551.480.88
t-aconitate-13C2ME2528750.280.121.720.82
Asp-13C4ME252660NA0.050.991.33
bOHbutyrate-ALLME2528460.750.701.210.98
fumarate-13C4ME252859NANA1.050.95
citrate-13C5ME2528520.02NA1.251.07
fumarate-13C0ME2528551.141.161.040.86
lactate-ALLME2528650.580.911.161.01
fumarate-13C3ME2528580.040.161.411.19
citrate-13C3ME2528500.060.021.411.23
Leu-13C4ME252711NA0.631.400.78
citrate-13C0ME2528472.462.420.610.43
citrate-13C6ME252853NA0.001.321.01
Asn-ALLME2526550.770.861.111.02
Asp-13C3ME2526590.050.071.321.30
Leu-13C0ME2527070.790.821.190.94
Lys-13C2ME2527170.730.681.59NA
Thr-13C1ME2527800.460.611.400.91
Thr-13C3ME2527820.77NA1.620.60
Asp-13C1ME2526570.700.641.101.12
Thr-13C2ME2527810.410.861.211.05
Asp-13C2ME2526580.000.031.401.26
Asp-13C0ME2526561.161.450.970.83
a-glycerol-3P_#1-13C2ME2528180.180.981.440.84
Tyr-13C3ME2528010.590.331.930.22
Tyr-13C4ME2528021.07NANA0.93
OHPro-13C3ME2527390.95NA0.811.31
a-ketoglutarate-13C5ME2528310.070.331.271.26
Asn-13C0ME2526501.111.200.990.90
Met-13C1ME2527300.771.161.600.43
Orn-13C3ME2527460.40NA1.260.91
a-ketoglutarate-13C3ME252829NA0.091.350.95
Malate-ALLME2527280.721.021.021.07
Malate-13C4ME252727NA0.030.851.47
Malate-13C1ME2527240.170.661.341.05
Orn-13C0ME2527431.161.421.050.75
a-ketoglutarate-13C0ME2528261.171.121.090.82
Leu-13C3ME2527100.95NA0.551.46
a-ketoglutarate-13C1ME2528270.601.350.851.17
Orn-13C2ME2527450.110.091.361.24
Pro-13C5ME2527660.17NA1.241.04
Ile-13C2ME2527010.270.181.301.48
Trp-13C1ME252786NA0.251.350.90
Ala-ALLME2526410.820.891.150.95
Gly-ALLME2526900.880.881.170.91
Trp-13C8ME2527951.280.890.881.06
Trp-ALLME2527970.910.521.300.89
ascorbate-13C1ME252834NA1.28NA0.86
Pro-13C1ME2527620.830.271.271.03
Phe-ALLME2527600.770.801.250.90
Pro-ALLME2527670.760.771.220.93
Ser-13C3ME252771NANA1.280.72
Phe-13C5ME2527550.601.001.590.54
Phe-13C7ME2527571.070.380.541.73
Phe-13C6ME2527560.981.451.070.81
Trp-13C9ME2527960.811.781.030.77
Ile-13C1ME2527001.260.910.891.05
Val-13C3ME252812NA1.001.140.86
Phe-13C8ME2527580.470.701.620.66
Phe-13C9ME2527590.761.03NA1.21
Ala-13C0ME2526371.541.600.920.70
Val-13C2ME2528110.480.861.380.97
Ala-13C1ME2526380.391.741.300.65
ascorbate-ALLME2528400.930.94NA1.07
Val-13C1ME2528100.910.781.250.93
a-ketoglutarate-ALLME2528320.780.771.190.96
Trp-13C6ME252793NANA1.070.93
Val-13C4ME252813NA1.211.450.67
Ala-13C3ME252640NANA1.050.95
GAB-13C0ME2526670.950.791.280.80
Orn-ALLME2527490.760.901.180.93
Orn-13C4ME252747NA0.030.871.45
a-ketoglutarate-13C4ME2528300.040.111.371.24
Ala-13C2ME2526390.320.321.331.12
Arg-13C3ME2526451.071.160.301.16
Trp-13C10ME2527870.66NA1.260.56
Phe-13C0ME2527500.780.771.250.91
Phe-13C4ME252754NA0.47NA1.18
Phe-13C1ME2527510.880.731.270.86
Phe-13C2ME2527520.010.880.911.43

Factors:

F1protocol.id:12CGlc_FASN_shRNA
F2protocol.id:12CGlc_NTC_shRNA
F3protocol.id:13CGlc_FASN_shRNA
F4protocol.id:13CGlc_NTC_shRNA
Data matrix
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