Clustering data with hclust algorithm for Cyclobutene- and cyclobutane-functionalized fatty acids as novel biochemical probes of structure and function in HepG2 cells (Study ST000241)

FT-ICR-MS Negative ion mode (Analysis AN000374)
MetaboliteStructureF1F2F3F4F5F6F7F8
DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME6999320.18NA0.130.160.160.134.970.13
FinasterideME6999220.600.240.490.590.410.584.680.10
Retinoic acidME6999260.320.283.980.621.560.230.080.92
TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]ME6999350.720.180.230.330.380.340.355.46
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6]ME6999430.410.070.170.070.070.051.204.39
TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999060.130.05NA0.170.090.29NA4.40
TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999490.11NANA0.230.130.14NA3.80
TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999121.110.290.360.330.370.391.643.50
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]ME6999370.750.970.610.070.140.071.162.71
DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)ME6999460.09NANA0.760.500.800.092.54
LysoPE(0:0/16:1(9Z))ME6999010.520.330.270.930.330.79NA3.10
TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999081.410.110.160.560.660.900.713.19
PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999310.910.530.590.620.540.400.404.01
TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999091.040.190.320.570.620.840.264.16
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]ME6999020.162.992.480.10NA0.130.470.33
DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME6999180.021.831.16NA0.02NANANA
Eicosadienoic acidME699944NA1.821.16NANA0.020.020.02
GingerolME6999502.510.320.581.550.491.720.610.22
Lactosylceramide (d18:1/12:0)ME6999412.450.190.231.860.320.540.320.59
19-Hydroxy-PGE2ME6999514.080.210.220.570.221.230.510.16
LysoPC(10:0)ME6999524.440.090.230.490.341.140.270.40
PA(20:4(5Z,8Z,11Z,14Z)e/2:0)ME6999003.290.33NA0.33NA0.310.350.23
CanrenoneME6999483.671.010.200.900.430.900.350.54
IsoacitretinME6999452.910.820.471.070.660.880.660.52
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999103.290.610.720.260.220.181.990.73
PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999192.500.880.930.450.350.300.761.84
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999202.311.081.480.360.300.251.310.90
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]ME6999291.250.580.820.230.300.363.131.34
DG(15:0/20:0/0:0)ME6999171.001.291.340.680.790.541.900.46
DG(15:0/22:0/0:0)ME6999130.791.651.210.880.900.491.690.39
DG(15:0/18:0/0:0)ME6999471.391.061.260.530.320.392.590.46
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]ME6999300.721.381.450.210.230.382.300.57
SM(d18:0/14:1(9Z)(OH))ME6999031.130.420.270.710.611.662.101.10
TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]ME6999251.830.300.440.590.640.681.651.86
Oleic acidME6999380.480.551.561.051.331.000.801.24
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999071.390.860.810.920.961.221.030.81
Trihexosylceramide (d18:1/18:0)ME6999111.510.870.920.590.681.101.321.01
PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999271.180.421.451.100.690.801.500.86
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999341.301.211.530.730.580.651.260.75
PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))ME6999151.550.771.111.230.640.561.480.66
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999241.480.971.120.920.640.751.270.84
Nonadecanoic acidME6999051.160.670.841.141.361.360.750.71
Palmitic acidME6999391.320.701.431.021.240.890.381.03
Stearic acidME6999331.660.831.520.941.080.730.590.67
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999041.530.780.931.071.471.850.100.23
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6999402.060.710.540.810.921.300.391.28
12a-Hydroxy-3-oxocholadienic acidME699916NA0.120.611.101.49NANA1.09
Eicosapentaenoic acidME6998990.330.161.501.141.870.14NA0.50
DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)ME6999210.640.180.081.451.311.280.952.11
AzythromycinME6999230.650.560.721.461.331.840.450.99
VerapamilME6999280.440.390.341.521.622.150.081.45

Factors:

F1Concentration (uM):0 | Treatment_compound:BSA
F2Concentration (uM):500 | Treatment_compound:CB-cis
F3Concentration (uM):500 | Treatment_compound:CB-trans
F4Concentration (uM):500 | Treatment_compound:CK-cis
F5Concentration (uM):500 | Treatment_compound:CK-trans
F6Concentration (uM):500 | Treatment_compound:K-cis
F7Concentration (uM):500 | Treatment_compound:Oleic acid
F8Concentration (uM):500 | Treatment_compound:Palmitic acid
Data matrix
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