Clustering data with hclust algorithm for (Study ST002104)

(Analysis AN003439)
MetaboliteStructureF1F2F3F4F5F6F7
N,N-dihydroxyhomomethionineME512217NANA3.920.680.630.270.12
Tetracosahexaenoic acidME512210NANA3.63NA0.750.190.14
3b,12a-Dihydroxy-5a-cholanoic acidME5120590.050.046.820.091.370.320.20
dodecyltrimethylammoniumME5121460.140.116.860.120.700.400.33
Heptaethylene glycolME5121610.370.415.180.970.580.410.47
Octaethylene glycolME5121620.450.415.910.980.570.450.48
Aminoadipic acidME5120880.900.750.260.380.110.223.64
aminocaproamideME5121400.120.140.470.03NANA3.46
PhosphorylcholineME5120231.030.200.010.000.183.231.68
2-hydroxysuccinamateME5120530.130.142.515.100.250.480.25
CitrullineME5120550.750.212.014.810.310.380.14
DuloxetineME5122720.210.211.474.820.390.520.28
CytidineME5120890.160.104.043.280.780.200.21
CytosineME5122580.270.333.512.880.710.270.27
N2-gamma-GlutamylglutamineME512101NANA1.412.91NA0.120.04
SerineME5120601.080.281.723.60NA0.020.08
ThreonineME5120371.050.371.622.980.220.341.29
GlutamineME5120250.650.222.483.420.040.520.97
AcetylcarnosineME5122560.25NA2.422.880.390.480.22
LysoPC(18:1)ME5121760.690.482.533.060.590.410.45
5-MethylcytosineME5122030.700.611.451.82NANA0.85
HypoxanthineME5120650.020.032.191.750.04NANA
HistidineME5121331.470.492.712.290.540.271.17
3-IndoleglycolaldehydeME5120560.690.842.552.040.480.520.75
FA (13:2) tridecadienoic acidME5122120.830.573.021.730.410.690.48
hydroxy-N-acetyl-(L)-arginineME5120730.150.142.551.511.241.630.47
2-methylaminoacrylateME5121950.820.320.962.220.751.251.08
IsoputreanineME5122761.050.771.432.330.610.790.61
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acidME5122830.670.911.432.030.800.830.75
DehydrophytosphingosineME5122860.610.841.262.430.930.970.84
CarnosineME5121170.340.351.562.950.920.880.85
SorbitolME5121510.730.401.612.540.701.020.71
glutamyl-L-alaninolME5122420.880.311.891.950.450.830.89
N-hydroxy-L-pipecolateME5122240.760.281.771.891.131.341.13
ArginineME5120310.890.741.882.001.091.230.80
Glu/Ile/Pro/Pro/TyrME5122620.610.811.841.680.791.100.68
1,6,8-trimethylallantoateME5122110.830.581.771.950.840.970.63
1-Isothiocyanato-7-(methylsulfinyl)heptaneME5122320.860.541.551.760.951.110.66
FructosamineME5121870.350.102.102.160.921.480.64
OrnithineME5120540.530.481.722.021.001.190.65
Alanyl-SerineME5122930.440.371.942.230.901.200.64
tembetarineME5122950.490.401.862.190.861.310.57
erucamideME5120440.410.991.992.480.781.420.72
N-(2-hydroxypentadecanoyl)-phytosphingosineME5122700.310.702.512.170.751.000.46
N2-FructopyranosylarginineME5120333.150.421.392.070.020.040.07
N-(1-Deoxy-1-fructosyl)phenylalanineME5120385.190.760.120.140.020.040.16
N-(1-Deoxy-1-fructosyl)valineME5120474.371.090.200.160.110.140.38
3,4-dichloro-tridecanoic acidME5122293.180.250.520.41NA0.250.38
Ile/Thr/Ser/SerME5121783.320.580.190.23NANA0.16
Muramic acidME5120783.730.160.180.28NANA0.13
psicoselysineME5120663.630.340.200.29NANA0.04
benzodiazepinedioneME5121963.380.200.400.50NANA0.16
N-(1-Deoxy-1-fructosyl)tyrosineME5120723.610.270.370.41NA0.150.21
5-guanidino-3-methyl-2-oxo-pentanoateME5121912.800.740.350.59NANA0.16
malyl alpha-D-glucosaminideME5121142.390.240.610.25NANANA
N-AcetylneuraminateME5120612.530.120.190.43NANANA
ButyrylcarnitineME5121282.373.230.020.020.110.181.42
4-Imidazolone-5-propionic acidME5120430.290.500.210.133.320.381.63
TiglylcarnitineME5122140.290.350.230.282.911.440.99
sn-glycero-3-PhosphoethanolamineME5121160.520.46NANA1.701.221.10
Adenosine triphosphateME5120950.380.54NANA1.221.611.45
NADME5120700.330.18NANA1.541.831.12
CreatineME5120190.610.190.430.151.962.061.12
2,5,6-Trihydroxy-5,6-dihydroquinolineME5120870.01NANANA1.641.710.64
3-AminobenzenesulfonateME5122090.080.21NANA1.742.130.84
5^-MethylthioadenosineME5120360.100.14NANA2.082.030.64
GlycerophosphocholineME5120201.530.360.050.082.021.521.82
hydrogen acetylphosphonateME5122311.090.28NA0.071.571.191.48
N6-Acetyl-L-lysineME5120970.490.410.630.672.121.351.09
4-Guanidinobutanoic acidME5121680.770.710.510.522.050.941.18
AlanineME5120620.840.430.600.882.040.731.32
PC(MonoMe(11,3)/MonoMe(11,3))ME5122081.200.65NANA1.510.770.88
PC(14:0/20:2)ME5121521.361.200.030.041.641.051.05
AdenosineME5120511.020.760.30NA1.470.871.35
GlycerophosphoglycerolME5120831.170.970.040.051.311.021.49
O-AcetylserineME5120671.241.030.060.051.581.071.34
PS(18:0/18:0)ME5122280.380.62NANA2.530.630.72
PC(18:1/18:1)ME5121480.930.720.050.062.451.091.06
AcetylcarnitineME5121300.851.190.070.082.110.941.14
Ile/Lys/ProME5122610.730.890.23NA1.791.120.97
PS(16:0/18:0)ME5122810.730.72NANA1.960.730.85
PS(18:0/18:2)ME5121100.580.88NANA1.930.820.80
DihydrothymineME5120450.850.190.921.131.511.281.13
TheanineME5120750.810.190.991.271.391.271.16
N-a-Acetyl-L-arginineME5122671.170.361.191.451.030.901.11
PseudouridineME5121070.930.541.021.331.111.191.00
triethylene glycolME5122500.790.920.880.671.831.640.52
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanoneME5122380.320.331.371.331.691.560.63
CHAPSME5122250.450.741.320.741.581.470.72
GlucoseME5120520.440.461.140.681.591.670.95
ProlineME5120210.730.571.241.281.731.501.12
CAPSME5121600.530.781.311.091.371.270.78
N-DesmethylaminopyrineME5122010.570.501.201.081.431.390.92
N-Acetyl-L-glutamate 5-semialdehydeME5120810.070.251.090.402.222.170.62
GlutarylglycineME512220NA0.051.250.871.641.580.33
phenyl sulfoxideME512166NANA0.890.711.301.340.62
1,2-dioctanoyl-1,2,6-hexanetriolME5121320.921.000.042.190.911.050.97
2-HydroxyundecanoateME5120171.191.320.042.121.151.241.00
2-Aceto-2-hydroxybutanoic acidME5120181.611.350.031.751.070.991.12
Montalicin AME5120861.610.97NA1.100.770.660.93
PentadecanoylcarnitineME5121741.541.000.131.650.810.840.94
3,4-Dimethyl-5-pentyl-2-furanundecanoic acidME5122001.310.95NA1.470.820.810.81
Octadecyl fumarateME5120641.260.84NA1.710.760.860.80
1-MethylhistidineME5121471.501.751.700.730.640.540.91
N6-Acetyl-N6-hydroxy-L-lysineME5122391.181.071.871.280.510.810.67
PicolinamideME5120291.171.631.661.520.530.801.08
stipitatonateME5121711.861.011.020.380.770.940.83
ValineME5121261.961.401.021.160.420.521.52
Adrenochrome o-semiquinoneME5121311.750.710.821.080.530.591.49
2-DiethylaminoethanolME5121821.991.100.631.350.300.581.04
Folic acidME5122791.901.110.761.000.320.481.34
6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1,3,5(13),6,9,11-hexaen-2-yliumME5120682.081.020.680.940.490.611.06
PhenolsulfonphthaleinME5120282.100.970.720.920.490.611.06
Indolelactic acidME5120571.441.070.910.960.770.621.18
3-nitro-2-pentanolME5122941.530.880.930.720.840.721.26
N-hydroxyisoleucineME5121571.440.680.960.801.020.811.20
IndoxylME5121971.811.480.901.070.350.390.97
LeucineME5121241.521.551.131.230.860.791.04
MethionineME5120271.631.231.081.120.470.531.01
2-Amino-5-(methylthio)pentanoic acidME5122641.561.261.180.920.570.680.86
N6,N6,N6-Trimethyl-L-lysineME5120491.541.300.890.970.770.620.86
Homo-L-arginineME5121001.631.250.931.100.630.700.77
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylateME5120481.441.360.981.080.630.720.81
PiperidineME5121451.531.401.041.110.730.710.86
9^-Carboxy-alpha-chromanolME5121421.061.240.710.641.711.251.10
BetaineME5121270.901.220.990.991.481.201.16
PhenylacetylglycineME5120420.740.961.140.711.451.120.83
3-(methylsulfanyl)acryloateME5122571.060.680.900.841.300.971.15
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrioneME5122360.960.921.040.690.920.891.02
Methyl cinnamateME5122540.971.011.180.741.091.031.10
HETE di-endoperoxideME5122190.841.490.691.280.950.910.83
FasoracetamME5120981.311.071.131.290.890.610.84
CreatinineME5120261.211.181.091.260.760.820.80
metoprineME5122531.151.101.011.200.760.900.96
Hippuric acidME5120461.201.121.061.050.820.980.80
8-OxocoformycinME5122651.171.200.941.020.950.910.81
IsoleucylprolineME5122041.201.141.030.980.970.810.87
4-OxoprolineME5120221.471.261.071.101.111.160.88
AllysineME5120771.111.281.271.361.041.060.94
Ala/Asn/SerME5121201.330.781.581.110.691.010.92
Ala/Met/Pro/TyrME5120921.440.961.471.040.680.910.67
DimethylglycineME5121921.130.781.541.200.991.020.92
Methylimidazoleacetic acidME5122131.230.781.271.120.931.060.72
TriethanolamineME5122490.900.791.171.080.880.760.76
ArbutinME5121941.100.871.201.550.790.980.76
Penicilloic acidME5120341.100.821.401.410.791.030.72
4-NitroanilineME5121111.090.961.421.240.870.740.85
3-Oxooctadecanoic acidME5121081.091.111.251.560.790.650.81
formylaminopyrimidineME5120391.031.101.231.450.760.880.77
6,9,12,15,18,21-Tetracosahexaynoic acidME5121130.651.161.101.231.021.080.87
Nalpha-MethylhistidineME5121550.720.771.201.241.120.921.18
1,8-Diazacyclotetradecane-2,9-dioneME5120350.710.981.251.691.271.050.84
MannitolME5120690.920.711.061.740.851.220.77
3-(Cystein-S-yl)acetaminophenME5121930.092.37NANA0.770.481.00
Ala/Phe/Lys/Arg/ArgME5122160.600.97NANA1.32NA1.10
Pyrogallol-2-O-glucuronideME5121210.521.40NANA1.11NA0.97
CystathionineME5121041.102.080.090.110.110.081.62
IndoleacetaldehydeME5121811.821.10NANA0.640.820.63
PE(15:0/20:2)ME5121721.541.43NANA0.590.540.89
PE(16:0/16:0(9Cp))ME5121851.401.26NANA0.750.710.88
PC(18:1/22:6)ME5121861.550.99NANA0.880.521.05
Oxidized glutathioneME5120761.480.92NANA0.600.951.05
Uridine diphosphate glucoseME5120911.471.05NANA0.610.791.07
PyridoxalME5121900.941.660.040.040.940.961.46
3,4-Dehydrothiomorpholine-3-carboxylateME5122450.481.43NANA0.881.310.90
Uridine triphosphateME5121030.961.49NANA0.830.740.98
benzenamine sulfateME5122480.861.36NANA1.040.790.95
HydroxybutyrylcarnitineME5122430.911.44NANA1.000.780.88
2,3-Diaminosalicylic acidME5122690.921.15NANA1.060.990.88
ChloropyramineME5120901.131.07NANA0.801.150.86
Ne,Ne dimethyllysineME5121772.191.370.620.810.560.540.72
norcisaprideME5121751.921.490.640.610.510.600.65
PC(16:0/22:6)ME5121832.161.300.310.370.640.571.21
CarnitineME5121291.931.430.290.270.930.751.25
PC(14:0/22:4)ME5121841.991.480.210.230.690.691.19
PC(16:0/22:5)ME5121631.991.440.280.270.770.531.24
PC(16:0/22:4)ME5121691.771.490.400.580.710.521.20
Imidazoleacetic acidME5122471.781.760.460.360.780.441.02
Pantothenic acidME5120301.771.670.390.410.680.671.00
TarginineME5122521.791.680.380.470.690.610.99
ATPAME5122961.612.110.390.490.550.540.93
3-hydroxypyridineME5122781.871.830.490.490.490.460.80
N(6)-MethyllysineME5121891.771.790.580.770.540.540.80
PropionylcarnitineME5121251.551.480.170.180.950.511.60
SlaframineME5122021.271.760.480.471.080.771.35
Arg-OEtME5121531.541.490.540.650.890.660.97
N2,N2-DimethylguanosineME5122601.421.470.410.411.190.691.02
PC(12:0/20:1)ME5121501.561.120.510.031.390.881.03
AdenineME5122371.841.470.190.231.210.820.95
PC(14:1/22:2)ME5121731.631.440.090.101.270.761.09
2-AminoheptanoateME5121392.092.260.090.090.770.481.60
DL-2-Aminooctanoic acidME5121581.941.920.150.130.640.431.22
TaurineME5120401.932.020.070.100.700.600.98
2-MethylbutyroylcarnitineME5121361.632.210.030.020.830.521.10
Lysyl-ValineME5120501.732.080.070.080.970.291.16
N-lactoyl-TryptophanME5120941.161.970.380.540.43NA0.97
N-AcetylvanilalanineME5120991.121.67NANA0.890.320.99
5-AcetamidovalerateME5122661.232.160.330.330.810.571.34
GlutathioneME5120801.202.120.330.080.520.540.91
Met/Cys/ProME5120852.101.780.250.29NANA0.10
2-O-MethylcytosineME5122051.701.540.060.09NA0.050.69
OleoylcarnitineME5121411.421.32NANA0.01NA0.58
trans-2-TetradecenoylcarnitineME5122351.521.19NA0.11NANA0.58
GlutarylcarnitineME5122152.382.140.150.190.120.091.08
3-Hydroxy-N6,N6,N6-trimethyl-L-lysineME5122411.651.81NANA0.460.160.92
Uridine diphosphate glucuronic acidME5120961.871.68NANA0.250.360.85
2-oxohexa-4,5-cyclopropyl-5-enoateME5120711.912.01NANA0.200.190.69
Dihydrozeatin riboside monophosphateME5121382.242.06NANA0.130.160.41
PhenylalanineME5121231.751.960.630.820.240.291.12
UracilME5120931.891.880.750.840.230.360.92
LysineME5121352.361.890.720.880.120.250.97
PyridoxineME5120242.151.620.680.870.240.320.97
Guanidoacetic acidME5121563.071.710.290.550.170.170.65
TryptophanME5120322.671.170.580.790.160.251.17
Cys/Met/Phe/HisME5121592.060.08NANA1.000.771.09
GDP-3,6-dideoxy-D-galactoseME5121052.430.52NANA0.460.520.90
PS(22:5/22:5)ME5121802.130.58NANA0.550.640.96
ErgothioneineME5122061.590.39NANA0.07NA1.33
5,7-Dihydroxyflavone 7-benzoateME5122341.910.590.69NANANA0.60
Met/Phe/GlyME5121191.980.450.550.56NANA0.79
Pipecolic acidME5121371.971.050.310.390.440.322.99
N-Acetyl-L-aspartic acidME5120411.810.680.010.010.391.202.23
N-acetyl-L-2-aminoadipate(2-)ME5122071.881.220.480.430.570.591.47
N-acetyl -D- glucosaminitolME5121151.921.300.480.360.380.321.85
Imidazoleacetic acid ribosideME5122232.081.040.400.510.400.431.77
N-Acetylneuraminic acidME5120742.161.110.190.350.460.611.64
N-Acetylglutamic acidME5120821.710.84NANA0.420.341.69
4-Hydroxyglutamate semialdehydeME5122462.001.220.160.200.220.252.12
N-Acetylaspartylglutamic acidME5120581.881.06NANA0.110.081.88

Factors:

F1conditions:CaOV3 cell line
F2conditions:CaOV3 cell line CBPR mutation
F3conditions:culture media for CaOV3
F4conditions:culture media for OVCAR5
F5conditions:OVCAR5_cell line
F6conditions:OVCAR5 cell line CBPR mutation
F7conditions:pooled QC
Data matrix
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