Clustering data with hclust algorithm for Determination of mode of action of anti-malalrial drugs using untargeted metabolomics (Study ST001033)

HILIC (Analysis AN001694)
MetaboliteStructureF1F2F3F4F5F6F7F8F9
N-Carbamoyl-L-aspartateME2508108.480.050.040.090.070.060.070.090.06
(S)-DihydroorotateME2507828.310.090.070.120.070.080.090.090.09
2-HydroxyethanesulfonateME2506730.290.260.220.550.383.361.501.770.58
NG,NG-Dimethyl-L-arginineME2505300.634.940.520.530.410.490.480.480.53
Pro-SerME250848NA2.33NANA0.240.23NA0.210.28
Lys-SerME2507390.803.350.680.940.620.610.630.860.51
UMPME2508190.382.510.441.210.950.750.831.160.76
Aspartyl-L-prolineME2508352.771.110.062.260.150.160.182.150.18
L-PipecolateME2508322.370.870.212.070.410.400.431.780.47
dihydrothymidineME2508291.712.000.281.620.340.590.341.590.36
Ala-ProME2508341.882.230.102.260.130.130.122.010.13
Thr-ProME2508332.301.730.212.030.230.250.281.640.33
4-AminobutanoateME2508202.960.450.350.980.860.720.870.950.86
Glycerone phosphateME2504180.460.300.580.482.041.262.120.311.45
UrateME2508140.550.330.541.361.170.440.952.670.98
ErgothioneineME2507630.730.500.901.381.180.620.842.120.72
ATPME2508080.620.520.551.180.930.841.222.350.80
D-Fructose 1,6-bisphosphateME2508110.600.560.541.181.140.811.311.970.89
N-Succinyl-L-glutamateME2508170.731.050.711.860.770.660.781.770.65
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-oneME2508300.670.870.362.160.790.480.682.420.56
S-Methyl-5-thio-D-ribose 1-phosphateME2508310.690.990.362.440.570.380.662.460.46
FA methyl(15:0) tridecanedioic acidME2507551.631.500.660.970.881.661.140.320.24
Choline phosphateME2503831.010.792.471.030.650.670.640.930.81
CMPME2503850.880.842.091.140.820.660.661.150.76
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineME2508430.470.52NA0.661.011.581.120.851.39
(-)-ArgemonineME2508250.79NA0.601.580.82NA1.320.781.02
S-Sulfo-L-cysteineME2508150.950.330.521.331.460.511.741.190.96
Glu-Cys-CysME2508231.290.290.531.781.270.301.040.641.07
Ala-Leu-Trp-ArgME2508210.940.450.651.901.440.291.261.180.89
Asp-Cys-Cys-SerME2508281.080.330.391.991.410.281.351.190.97
D-Sedoheptulose 7-phosphateME2507921.491.270.971.720.620.500.421.570.44
gamma-Glutamyl-Se-methylselenocysteineME2507001.551.461.081.390.610.580.461.390.48
D-4^-PhosphopantothenateME2508261.281.220.511.810.780.570.681.530.62
L-beta-aspartyl-L-glutamicacidME2508241.600.880.511.770.700.680.681.460.71
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatrieneME2505471.000.910.810.840.671.111.800.671.18
D-Erythrose 4-phosphateME2507680.430.460.620.960.971.201.701.231.28
O-Acetyl-L-homoserineME2507130.510.680.761.000.621.171.950.911.41
PC(36:3)ME2503880.671.081.330.751.300.690.621.281.29
Thiourocanic acidME2507880.610.781.391.170.820.450.941.811.16
2-HydroxyadenineME2506510.851.860.680.810.990.980.990.840.99
CytidineME2505410.421.420.710.731.101.111.350.831.33
Indole-3-acetamideME2506621.030.960.891.070.761.061.190.371.69
2-Quinolinecarboxylic acidME2506971.171.130.871.120.860.790.970.531.55
3-MethyleneoxindoleME2506781.111.310.871.080.920.661.040.431.58
betaine aldehyde hydrateME2507720.810.820.751.180.781.721.110.970.80
SucroseME2505910.870.860.820.890.931.700.981.110.86
4-NitroanilineME2506591.011.040.790.950.781.581.040.950.85
Dodecanoic acidME2504231.000.991.010.870.801.510.940.900.98
Ethanolamine phosphateME2505201.370.791.281.290.800.750.811.170.74
D-Fructose 6-phosphateME2507260.921.010.801.070.790.771.471.350.82
N-dimethylethanolamineME2504530.610.920.930.851.071.340.941.061.29
FA methyl(18:0)ME2503870.760.581.240.691.271.281.190.651.35
FA methyl(14:0)ME2504300.850.701.151.011.140.961.270.731.18
FA dimethyl(16:0)ME2503900.720.661.260.861.161.151.240.711.24
[FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acidME2504020.770.651.220.931.091.081.160.851.26
L-CystineME2507360.890.641.001.381.390.351.220.801.33
Trp-Trp-SerME2507731.180.560.931.461.440.291.180.771.20
CassyfilineME2506981.040.761.041.341.240.581.170.631.19
LysoPC(18:1)ME2506841.220.781.001.261.230.791.050.770.90
N-AcetylputrescineME2507421.070.800.931.291.190.731.150.791.04
SulfoacetaldehydeME2507761.110.720.901.451.180.701.130.761.04
MorphinoneME2506521.190.751.181.411.040.540.950.921.01
AmurensineME2504711.280.801.161.101.140.701.080.591.06
LysoPC(18:0)ME2504561.260.821.301.201.190.690.930.730.89
LysoPE(18:0)ME2507011.220.761.111.431.200.650.940.701.00
LysoPC(16:0)ME2506581.300.811.081.301.240.640.940.770.92
LysoPE(20:0)ME2506091.260.831.161.301.240.710.880.710.91
beta-Citryl-L-glutamic acidME2507840.700.680.661.091.380.861.281.380.96
UDP-glucuronateME2508030.680.540.611.261.300.831.411.420.94
6-Phospho-D-gluconateME2508060.710.560.611.301.190.771.351.580.93
N-Acetyl-D-glucosamine 1,6-bisphosphateME2508010.710.620.621.231.180.821.351.500.97
ADPME2508000.790.730.641.271.100.831.131.620.89
4-HydroxyphenylacetylglycineME2507780.920.850.751.221.050.861.071.390.90
D-GalactonateME2507270.870.760.831.121.070.841.151.361.00
PyridoxalME2507690.780.770.721.121.110.991.201.360.94
GDP-mannoseME2507940.860.720.721.311.110.861.171.370.88
GDP-L-fucoseME2507860.790.720.761.261.120.881.221.340.92
NADP+ME2507750.860.690.761.211.120.871.191.390.91
5-Guanidino-2-oxopentanoateME2507281.050.700.741.001.320.891.340.951.01
L-Methionine S-oxideME2505901.130.800.951.031.190.731.310.860.99
2-C-Methyl-D-erythritol 4-phosphateME2507850.820.530.841.391.410.531.340.971.16
NicotinamideME2507870.930.570.791.321.130.951.240.901.16
2,3-DimethylmaleateME2507040.870.620.901.161.380.811.280.801.19
SuccinyladenosineME2507890.890.700.791.371.340.751.140.911.11
CorydalineME2508020.990.560.811.611.280.421.141.200.99
2-Amino-9,10-epoxy-8-oxodecanoic acidME2507990.800.840.651.241.290.651.311.081.14
4-Hydroxy-4-methylglutamateME2507971.010.880.771.441.080.691.031.200.89
L-LysineME2507961.170.960.741.381.090.611.081.080.90
SanguinarineME2508070.990.810.671.421.300.761.141.080.84
4-Amino-4-deoxychorismateME2507930.940.840.721.291.260.691.131.180.95
gamma-L-Glutamyl-L-cysteinyl-beta-alanineME2507560.940.920.811.201.250.701.081.120.98
L-ArginineME2507800.990.750.861.401.240.651.091.040.98
L-TyrosineME2507980.870.790.731.391.180.681.241.111.01
(S)-1-Pyrroline-5-carboxylateME2507950.950.660.741.361.190.711.181.230.98
NicotinateME2503840.991.011.220.640.751.171.260.901.07
N2-(D-1-Carboxyethyl)-L-arginineME2507291.301.271.001.360.720.720.671.220.75
Asp-Val-Pro-SerME2506481.291.160.881.040.611.130.891.160.84
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)ME2506860.901.090.931.170.781.040.891.240.98
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME2506570.921.130.841.010.791.130.921.330.94
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME2507540.921.160.721.050.801.080.941.380.95
6,7-Dimethyl-8-(1-D-ribityl)lumazineME2506051.281.001.051.170.830.820.911.050.89
PE(38:1)ME2505731.140.981.001.070.811.030.971.020.98
AspartylysineME2507601.030.850.891.340.910.960.911.230.87
2-OxoglutarateME2507501.090.980.971.400.870.780.841.280.78
Anthocyanin 3^-O-beta-D-glucosideME2507401.240.860.941.300.870.860.841.280.81
S-Adenosyl-L-homocysteineME2507741.230.920.881.380.840.820.821.260.85
CholateME2507371.110.980.991.370.960.660.931.160.84
Hydantoin-5-propionateME2507511.190.860.881.270.940.890.921.180.88
L-TryptophanME2507641.190.870.871.330.970.760.931.190.88
L-ValineME2507661.160.890.881.351.010.760.941.100.90
PG(34:1)ME2507831.121.280.801.310.840.820.811.260.77
PG(36:2)ME2507191.061.240.911.210.850.800.881.240.82
Asn-AspME2507611.181.100.781.190.880.900.911.150.91
L-AlanineME2507161.130.990.931.230.850.890.921.160.90
L-PhenylalanineME2507651.140.980.831.260.860.890.901.280.85
L-beta-aspartyl-L-asparticacidME2507231.121.130.861.161.010.870.941.100.82
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerolME2506891.071.160.941.190.980.890.881.080.81
PS(36:0)ME2506791.071.210.951.180.910.870.861.120.83
D-Glucose 6-phosphateME2507211.050.950.921.231.040.910.881.250.76
Ethyl 3-oxobutanoateME2506340.960.980.981.140.980.930.911.220.91
AMPME2507121.011.100.891.160.950.840.941.170.94
N-Carbamyl-L-glutamateME2506951.061.000.951.210.990.870.931.140.85
Acetyl phosphateME2507911.131.020.861.510.820.600.851.450.76
Glu-ThrME2508051.320.850.711.490.890.760.871.290.82
L-beta-aspartyl-L-threonineME2508091.360.710.641.370.920.750.971.360.92
Asp-Thr-Cys-CysME2508181.120.830.571.520.850.761.061.380.91
psicoselysineME2507901.150.950.761.330.920.800.971.340.78
SuccinateME2508041.031.040.651.360.880.850.951.350.89
Glutathione disulfideME2506250.730.810.871.000.811.221.360.921.29
LysoPE(20:4)ME2505510.890.810.981.020.901.191.170.911.13
(Z)-4-Hydroxyphenylacetaldehyde-oximeME2507430.920.840.771.071.001.241.241.070.86
3-nitro-2-pentanolME2507081.060.710.851.100.801.381.210.841.06
GDP-3,6-dideoxy-D-galactoseME2507521.340.780.711.030.911.301.110.890.95
EctoineME2504801.251.160.960.920.981.170.910.660.99
Met-Ala-GlyME2504921.281.181.010.991.031.060.810.830.82
PE(30:4)ME2503941.131.191.210.861.030.930.800.900.96
PI(34:0)ME2504111.201.211.120.911.110.720.830.881.01
HercynineME2503861.201.261.250.690.991.050.830.740.99
PE(31:4)ME2503961.201.341.240.891.000.990.770.730.83
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acidME2504480.821.061.151.060.801.131.220.940.83
N-Acetyl-L-citrullineME2507060.931.120.811.051.091.061.160.681.10
alpha-N-Phenylacetyl-L-glutamineME2504171.170.911.100.921.080.901.061.070.81
1,6-diaminohexaneME2505310.921.020.910.930.891.271.031.100.93
3-Amino-2-piperidoneME2505630.960.980.910.960.911.241.070.971.00
Asp-ArgME2505030.900.971.061.050.911.250.910.980.97
FA oxo(8:0) oxo-octanoic acidME2504120.910.921.070.881.011.261.000.941.02
N-stearoyl tyrosineME2504080.890.991.130.901.101.190.910.781.09
Docosanoic acidME2504200.990.991.030.871.101.090.990.811.14
PsychosineME2503990.940.961.100.811.031.161.040.841.12
D-RiboseME2504031.061.041.140.880.981.091.010.791.00
HeptadecanoylcarnitineME2503981.031.001.180.860.931.141.000.890.96
trans-Hexadec-2-enoylcarnitineME2504070.941.041.070.850.961.241.030.791.06
LinoelaidylcarnitineME2503920.920.951.160.821.041.201.100.840.98
OleoylcarnitineME2504010.940.991.190.881.011.170.990.821.00
SM(d18:1/22:0)ME2504041.081.111.160.911.011.040.900.741.06
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholineME2504001.141.061.170.861.041.040.840.791.04
Clavulanic acidME2503931.001.081.270.911.070.950.940.761.02
(24R,24^R)-Fucosterol epoxideME2504161.061.101.150.961.071.030.950.740.93
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineME2503971.141.181.210.881.021.000.900.690.99
Cer(d40:2)ME2503911.061.121.230.861.071.010.950.750.95
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineME2503891.101.161.250.831.110.970.880.760.94
PI(32:0)ME2504241.101.131.070.921.130.980.920.830.92
PI(34:1)ME2504131.131.151.120.931.081.040.890.850.82
N,N-Dihydroxy-L-tyrosineME2504641.061.021.040.971.141.060.880.860.98
SM(d18:1/18:0)ME2504321.100.921.080.961.091.040.890.901.01
Met-Cys-CysME2504191.171.121.080.911.051.030.930.780.94
PE(P-36:5)ME2504501.141.041.040.951.031.070.930.810.99
SM(d16:1/22:1)ME2504611.071.141.050.981.031.000.880.850.99
SM(d44:1)ME2504691.051.091.050.991.031.070.920.840.97
PS(42:9)ME2504141.121.081.080.901.021.020.850.931.00
SM(d34:2)ME2504281.101.091.040.901.031.030.920.871.01
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholineME2504261.111.071.050.911.031.050.900.870.99
SM(d18:1/22:1(13Z))ME2504291.091.021.050.921.081.040.930.880.99
SM(d18:2/24:0)ME2504211.071.031.080.911.071.040.870.921.00
4a-HydroxytetrahydrobiopterinME2504151.031.021.170.981.001.030.880.861.02
PE(P-34:1)ME2504541.061.011.091.001.031.020.890.891.01
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonateME2504051.051.051.130.881.021.120.910.910.93
StearoylcarnitineME2504091.001.061.160.931.021.060.920.870.97
Ala-Met-Asp-TyrME2504061.031.161.070.840.861.060.971.030.99
5-HydroxytryptophanME2504371.161.121.100.990.771.040.980.781.06
Monomethyl sulfateME2503951.121.171.130.820.901.041.020.771.03
Ne,Ne dimethyllysineME2506931.021.230.861.100.950.980.970.950.95
LysoPC(20:4)ME2507050.920.840.961.241.021.151.130.830.91
DiethanolamineME2506531.031.000.961.140.910.981.140.990.86
VinylacetylglycineME2506470.960.880.971.140.941.031.180.920.97
PS(52:0)ME2504591.150.911.111.041.040.991.020.760.97
3-DehydrocarnitineME2504381.141.011.030.930.930.931.160.851.02
5^-MethylthioadenosineME2504551.060.911.040.960.961.071.100.831.07
PhosphophosphinateME2505131.070.911.001.000.941.051.100.941.00
CreatinineME2505080.981.050.980.980.931.111.030.851.09
Gibberellin A20ME2504900.941.001.051.021.051.091.050.781.03
Cys-Gly-ProME2504520.921.000.940.861.061.101.041.051.03
O-Palmitoyl-R-carnitineME2504390.890.910.970.871.081.181.110.871.12
9-Oxononanoic acidME2504570.980.870.990.910.961.141.040.991.12
GuanidinoacetateME2504770.970.900.990.951.041.070.971.021.09
ResazurinME2505420.941.010.950.981.091.090.960.891.09
3-(4-Hydroxyphenyl)lactateME2505480.940.890.940.981.041.171.010.931.11
ElaidiccarnitineME2505340.980.920.950.981.081.101.050.891.05
S-Adenosyl-L-methionineME2504250.850.971.171.020.981.031.050.930.99
6-Acetyl-D-glucoseME2504331.061.041.141.010.900.990.980.920.97
flaviolinME2504970.981.011.151.130.981.020.910.870.96
PS(34:0)ME2505491.061.081.001.051.020.970.931.030.85
IMPME2506021.091.041.001.110.990.920.941.050.86
PC(32:1)ME2506121.081.100.971.090.970.920.911.050.90
L-gamma-glutamyl-L-isoleucineME2506631.110.980.891.071.000.940.961.130.92
[PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamineME2506821.040.940.881.101.061.010.931.110.92
vanillylamineME2506691.060.960.901.091.050.960.951.140.89
Cys-Phe-Gly-GlyME2506831.061.020.811.011.040.991.021.080.96
PS(36:3)ME2506921.051.060.861.091.000.971.001.050.91
L-beta-aspartyl-L-serineME2506460.961.020.901.051.050.951.001.100.99
PS(34:1)ME2506001.051.090.911.000.990.980.961.060.96
PS(36:1)ME2505941.061.040.951.041.040.950.951.050.93
PS(36:2)ME2506061.041.050.921.031.050.940.961.020.99
Asp-Leu-Lys-AspME2505961.080.840.921.011.030.971.031.160.98
SM(d18:2/22:1)ME2504511.000.951.070.980.961.000.971.081.00
ApioleME2505740.950.930.981.051.010.980.991.170.93
N-Acetyl-D-glucosaminateME2504850.980.971.020.990.961.000.981.170.93
PE(P-36:4)ME2505051.120.891.051.051.050.960.870.981.02
L-ProlineME2506651.160.980.971.181.030.880.940.940.93
D-GlycerateME2505991.170.861.011.110.961.001.030.960.90
LysoPE(18:1)ME2506151.060.881.021.151.050.951.040.900.94
N(pi)-Methyl-L-histidineME2506041.080.970.991.100.970.971.020.920.97
PI(38:5)ME2506070.970.980.931.041.170.990.950.980.99
cis-AconitateME2506550.990.910.921.111.140.950.990.981.01
N-Acetyl-D-glucosamine 6-phosphateME2506680.980.940.941.151.190.890.980.990.94
LysoPC(O-16:1)ME2506031.000.911.001.111.090.981.010.871.03
O-Acetylneuraminic acidME2506700.940.960.961.181.101.001.020.860.99
ErythronicacidME2506410.990.860.921.071.111.031.100.901.02
UDPME2506400.930.890.891.041.191.051.070.960.98
Ala-SerME2506870.900.930.911.151.110.961.070.931.04
D-MannonateME2506110.930.940.941.041.080.961.140.951.03
Asn-Cys-CysME2504661.101.030.920.871.021.041.100.851.06
N-(L-Arginino)succinateME2505721.070.960.900.961.101.041.080.901.00
PA(38:6)ME2506291.021.050.911.051.111.000.970.901.00
PS(42:7)ME2505950.991.110.931.021.081.041.020.860.95
sn-glycero-3-PhosphocholineME2506200.921.000.850.961.111.031.160.921.05
sn-glycero-3-PhosphoethanolamineME2505170.981.040.940.951.031.021.040.951.04
Nicotinamide D-ribonucleotideME2506100.921.030.901.001.101.061.070.960.96
[SP] Sphinganine-1-phosphateME2506270.930.990.871.001.141.031.021.011.01
D-GlucosamineME2505880.831.000.991.071.031.001.100.971.01
AdenineME2506220.950.980.941.070.971.111.070.921.00
VicineME2505520.930.901.001.051.001.101.060.971.00
5,6-DihydrothymineME2505780.920.950.981.051.001.071.060.931.05
N2-(D-1-Carboxyethyl)-L-lysineME2505770.950.920.971.041.031.041.050.941.04
PS(34:2)ME2505871.021.000.961.040.950.941.110.921.07
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol)ME2505890.980.910.981.060.931.021.070.971.08
(R,R)-Tartaric acidME2505801.010.961.001.070.980.961.020.961.05
thiomethyl glutamateME2505531.020.940.991.030.980.961.060.981.05
CreatineME2506210.961.030.951.080.940.961.040.991.05
HypaphorineME2506420.980.970.971.130.970.961.060.961.00
Lys-ValME2506610.950.970.921.101.020.961.080.981.03
Ala-Asp-SerME2506310.971.050.941.080.981.031.030.921.00
D-GlucoseME2506160.950.990.961.081.040.991.060.950.97
OrotidineME2505750.970.980.981.051.051.001.060.920.98
PE(34:3)ME2505261.120.930.981.001.070.981.001.010.92
PI(36:4)ME2505971.090.970.961.061.120.940.980.950.93
PI(40:6)ME2505701.140.930.981.041.120.960.990.890.94
PA(36:5)ME2504911.120.931.010.981.081.041.010.900.92
PE(O-38:5)ME2504821.071.031.000.961.070.971.060.910.95
Procollagen 5-(D-galactosyloxy)-L-lysineME2504761.101.020.990.941.061.031.020.910.94
PA(34:1)ME2504951.120.991.021.001.161.010.940.850.90
PA(34:2)ME2504941.070.991.031.011.131.000.930.920.92
PE(32:1)ME2505371.080.990.981.011.091.030.950.930.94
PA(36:4)ME2505061.091.050.950.951.111.050.940.940.91
PE(32:0)ME2505231.081.000.960.971.161.010.950.950.94
Cholesta-5,7-dien-3beta-olME2505461.020.961.001.041.031.010.990.871.09
D-ArabinonateME2505561.081.001.021.071.011.001.010.801.01
N-EthylmaleimideME2504861.001.051.061.030.941.011.100.850.96
SM(d18:1/14:0)ME2504451.071.061.030.941.021.080.930.920.95
SM(d18:2/24:1)ME2504681.011.041.030.971.061.080.920.930.96
N6-Acetyl-L-lysineME2505331.041.021.001.031.021.061.010.900.93
SlaframineME2504980.991.041.021.011.031.080.970.890.97
CholesterolsulfateME2505451.041.030.981.011.071.001.000.910.96
PE(20:2(11Z,14Z)/P-18:1(11Z))ME2504781.061.031.000.961.061.040.940.920.99
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholineME2505011.051.041.011.001.041.040.970.870.99
4-AminobenzoateME2504840.960.981.030.990.981.111.040.901.00
CapryloylglycineME2504420.990.981.050.960.961.141.070.910.95
LysoPC(O-18:2)ME2504620.971.051.040.981.031.021.060.880.96
FagomineME2504351.020.951.040.941.071.051.100.870.97
N2-Acetyl-L-aminoadipateME2504400.990.971.040.951.031.061.070.901.00
N-acetyl -D- glucosaminitolME2504751.020.981.030.981.021.031.050.881.01
Ile-AlaME2504491.031.071.050.960.991.070.990.890.96
D-Glucono-1,5-lactoneME2504651.031.011.060.991.001.041.030.860.97
3-beta-D-Galactosyl-sn-glycerolME2504471.011.021.050.960.991.081.050.870.98
L-CitrullineME2504431.021.021.050.960.971.091.020.870.99
N4-(Acetyl-beta-D-glucosaminyl)asparagineME2504441.050.991.070.981.041.050.980.880.96
N-Acetyl-L-leucineME2504721.070.961.071.020.981.051.020.870.96
O-PropanoylcarnitineME2504871.050.981.020.990.991.021.050.930.98
StachydrineME2505111.070.981.021.020.981.001.080.890.97
MannitolME2504881.020.991.020.990.971.051.020.911.04
8-Amino-7-oxononanoateME2505271.020.991.001.021.001.081.020.870.99
OtonecineME2505601.011.010.981.030.991.051.000.931.00
PE(P-40:5)ME2505181.011.050.991.001.080.941.060.890.97
Lys-Met-PheME2505350.991.051.031.061.070.901.000.930.98
Pyridoxine phosphateME2505071.021.031.031.031.130.920.980.930.94
Lys-Thr-ThrME2505580.950.991.011.061.060.941.081.010.91
Lys-Thr-SerME2505821.021.001.021.091.070.981.010.950.86
PS(40:8)ME2505191.051.031.021.031.030.931.031.000.89
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acidME2505671.000.931.031.090.991.051.020.900.99
Ala-Ala-Ala-SerME2505291.040.961.031.060.991.070.980.940.94
PC(36:4)ME2505841.010.961.001.081.031.020.990.960.96
D-Gluconic acidME2505430.990.981.011.041.011.011.050.940.97
L-isoleucyl-L-prolineME2505380.990.961.011.041.011.051.020.960.96
SM(d38:1)ME2504830.990.951.071.031.071.020.900.990.97
Asp-Gly-ArgME2504961.050.951.031.011.081.050.940.980.91
PC(36:1)ME2505761.031.001.001.071.021.040.950.970.93
PC(36:2)ME2505101.020.961.021.021.041.040.970.980.95
PC(38:4)ME2505251.030.981.021.041.041.030.920.970.97
PC(40:6)ME2505401.000.991.021.051.041.010.950.990.95
N-AcetylornithineME2505020.990.951.061.051.050.971.030.960.93
O-ButanoylcarnitineME2504790.950.981.061.021.080.981.020.940.97
PE(P-38:6)ME2505141.000.970.991.001.120.981.020.930.99
(R)-2-HydroxyglutarateME2505221.000.961.021.031.090.961.020.921.00
Ala-Leu-Thr-AlaME2505680.980.981.011.071.060.941.020.960.98
CMP-N-trimethyl-2-aminoethylphosphonateME2505391.010.981.021.051.070.980.960.940.99
Asp-Lys-Lys-TyrME2504271.020.971.090.951.030.991.020.950.97
PE(36:2)ME2504891.010.991.051.011.040.961.010.940.99
SedoheptuloseME2504811.041.001.061.021.020.990.990.910.98
PC(34:1)ME2504930.971.021.051.021.021.000.940.990.99
4-TrimethylammoniobutanoateME2504740.970.971.071.021.001.011.020.990.95
MethacholineME2504700.961.001.061.000.991.011.010.970.99
O-AcetylcarnitineME2504670.991.001.030.970.991.011.030.981.00
SM(d36:2)ME2505500.930.961.011.061.071.010.921.001.05
Cys-Leu-Cys-TyrME2506301.000.930.951.091.010.981.031.011.00
PC(38:6)ME2506170.990.940.971.101.051.020.951.000.99
PC(40:7)ME2505980.980.930.981.081.060.960.980.991.03
3-propylphosphoenolpyruvateME2506671.040.970.871.051.080.991.010.981.01
N-(3-oxooctanoyl)-L-homoserineME2506141.020.980.921.030.991.010.991.011.04
[FA (5:2)] 2,4-pentadienoic acidME2504991.010.940.980.971.021.071.050.970.99
PhthalateME2505860.980.960.941.021.051.051.021.010.97
L-beta-aspartyl-L-alanineME2505321.031.040.970.991.021.060.960.980.95
PE(34:4)ME2505160.991.030.970.971.041.050.941.030.98
D-Ribose 5-phosphateME2505921.001.000.880.971.071.031.041.030.98
PS(36:4)ME2506011.011.010.911.001.110.970.991.040.97
PS(38:6)ME2505811.041.040.910.981.091.010.990.980.97
Ile-Lys-ProME2505661.001.020.971.031.041.010.960.961.01
PC(40:5)ME2505650.991.020.951.011.061.050.940.981.00
L-HomocitrullineME2506231.040.980.931.061.061.021.000.950.97
CMP-2-aminoethylphosphonateME2506081.001.000.961.071.061.000.980.970.96
Gln-Leu-Lys-TyrME2505831.001.010.951.031.061.001.010.960.99
PS(40:4)ME2505931.040.980.961.051.101.000.930.980.96
PS(42:10)ME2505641.050.960.951.001.130.980.950.981.01
ancymidolME2505121.010.970.980.981.081.010.961.001.01
Muramic acidME2504731.020.991.020.971.071.010.950.980.98
PE(38:6)ME2505711.010.950.951.011.090.961.031.010.98
PE(36:4)ME2505041.000.980.990.991.060.991.011.000.97
PS(38:5)ME2505361.020.970.960.991.061.021.001.030.96
PI(38:4)ME2505621.000.960.951.011.131.000.990.990.97
PS(38:4)ME2505441.020.980.971.001.091.000.971.020.95
PS(40:5)ME2505851.030.990.951.021.100.990.971.010.94
PC(30:0)ME2505211.081.021.001.010.941.010.961.000.98
CTABME2505091.061.061.011.011.010.921.010.940.97
PC(32:0)ME2504581.091.081.060.981.010.960.930.960.94
4-PyridoxolactoneME2505001.041.041.011.001.010.980.981.000.94
N6-Acetyl-N6-hydroxy-L-lysineME2504601.041.071.050.981.010.970.980.960.93
N6,N6,N6-Trimethyl-L-lysineME2505690.981.061.031.090.960.990.980.960.95
NAD+ME2505791.041.011.011.090.990.930.970.990.96
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholineME2506180.971.060.981.100.970.980.920.981.04
HydroxybutyrylcarnitineME2505280.991.051.011.040.950.991.000.921.05
L-CarnitineME2505591.011.051.021.070.970.990.960.901.03
PE(36:0)ME2505240.911.080.991.011.041.050.971.020.93
2-phthalimidoglutarateME2504631.030.990.980.910.931.111.071.000.97
5,8,13,13a-TetrahydrocolumbamineME2504340.980.981.070.961.021.090.961.000.96
Dodecanedioic acidME2504221.010.981.080.921.041.100.951.040.88
PC(34:2)ME2504101.051.031.090.880.911.020.991.011.01
IndoleacrylicacidME2504410.981.051.040.950.941.100.981.000.97
PE(P-40:4)ME2504360.991.011.070.960.971.050.920.971.06
LysoPE(18:2)ME2507591.040.790.831.241.031.091.050.970.95
PS(18:0)ME2507331.060.890.791.090.951.161.021.011.02
PhosphocreatineME2506431.050.910.850.991.251.071.100.830.95
(S)-MalateME2505541.070.870.900.951.131.171.060.841.02
AloesinME2506131.050.900.830.931.081.131.210.940.93
N-Hydroxy-L-tyrosineME2506280.960.860.860.981.161.141.081.070.88
4-PyridoxateME2506321.040.940.871.011.091.111.040.970.93
D-myo-Inositol 1,2-cyclic phosphateME2506440.960.920.891.041.031.131.061.010.96
CholineME2506350.850.810.961.111.140.961.180.831.18
InosineME2506710.880.830.851.041.290.991.150.841.13
Nicotinate D-ribonucleosideME2506490.850.810.921.081.211.051.150.881.06
2,3,4,5-TetrahydrodipicolinateME2504460.960.951.010.921.170.841.200.871.09
Ala-Leu-Gly-ArgME2505570.880.881.101.151.140.841.150.821.04
TaurineME2505550.930.811.061.111.160.871.130.821.12
PS(15:0)ME2507621.120.820.771.181.280.851.010.971.00
S-(2-Hydroxyethyl)glutathioneME2507341.090.890.871.191.280.890.950.990.84
Decanoyl-CoAME2507301.050.910.791.081.280.960.831.320.77
Thr-Trp-CysME2505611.011.011.011.061.160.900.901.110.85
Glu-Met-SerME2506901.050.940.861.091.150.980.911.160.86
CamptothecinME2506641.010.900.891.071.210.940.911.190.89
Cys-GlyME2506391.030.890.911.061.170.990.921.200.83
Methyl 2-diazoacetamidohexonateME2506911.040.900.941.191.180.880.901.150.83
Met-Met-MetME2507311.030.890.881.201.210.850.951.220.77
PE(P-38:5)ME2505151.041.051.031.041.080.701.041.001.01
Asn-Glu-Ile-ProME2506240.870.990.921.051.060.851.121.131.00
QuinateME2506600.880.930.911.091.110.891.191.050.97
OrthophosphateME2507440.900.860.821.151.070.861.111.201.02
nonulose 9-phosphateME2507170.920.910.841.111.080.961.091.130.96
(S)-2-Aceto-2-hydroxybutanoateME2506990.940.930.861.101.070.911.071.091.04
FA (18:1)ME2506330.900.950.981.130.980.951.041.150.92
Pro-Arg-HisME2506260.910.940.941.070.981.011.071.081.01
Glu-Ala-SerME2507461.020.910.831.181.020.961.021.120.94
N6-Methyl-L-lysineME2506660.991.040.911.111.010.901.041.060.94
2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME2506880.980.970.931.181.020.931.051.030.91
L-OrnithineME2507110.970.940.901.181.040.921.071.020.97
2-Amino-2-deoxy-D-gluconateME2506800.960.950.911.131.070.921.071.080.92
Asn-ProME2506360.990.980.931.081.030.931.071.050.93
octulose 8-phosphateME2507091.010.970.871.131.040.941.071.040.93
HypoxanthineME2506810.860.860.871.081.041.051.071.101.08
Kievitone hydrateME2506940.830.820.941.201.110.911.081.071.03
Arg-Lys-Pro-HisME2507670.860.900.821.271.070.931.121.130.89
CitrateME2507700.910.770.791.241.080.971.111.170.96
ConvicineME2507790.880.810.741.191.270.881.151.110.96
Trp-Ala-CysME2507350.870.780.861.181.180.941.151.001.03
deacetylcolchicineME2507220.980.790.871.161.180.911.101.000.99
D-Mannitol 1-phosphateME2507320.950.840.821.131.220.921.111.050.96
UDP-glucoseME2507180.900.830.841.121.180.991.131.050.96
GlutathioneME2507200.970.830.891.181.230.871.041.070.92
UDP-N-acetyl-D-galactosamineME2507380.910.890.841.171.181.001.031.070.91
Arg-Asp-Asp-GlyME2506850.980.890.831.051.220.951.061.110.91
melibionateME2507100.960.880.851.111.180.931.011.090.97
ThiaminME2507481.050.860.921.321.100.671.051.021.00
L-IsoleucineME2507411.090.850.871.201.100.750.991.121.03
L-HistidineME2507581.010.840.861.281.070.801.061.090.99
L-ThreonineME2507811.040.810.821.331.100.771.011.081.03
Ile-Cys-PheME2507571.050.990.821.221.070.761.111.020.96
GlycerophosphoglycerolME2507450.950.980.851.191.020.831.071.200.91
L-beta-aspartyl-L-leucineME2507531.010.940.831.221.070.801.031.140.96
NorlichexanthoneME2506760.980.970.981.211.040.801.140.870.99
L-MethionineME2506960.980.950.971.241.100.801.030.941.00
D-FructoseME2506741.010.830.991.221.130.841.080.891.01
L-LeucineME2507070.940.870.961.251.160.821.090.930.96
L-Glutamate 5-semialdehydeME2507250.960.780.911.231.170.841.080.961.08
GyromitrinME2507141.020.840.971.281.120.790.990.981.01
L-GlutamineME2507241.010.830.921.241.160.831.010.971.03
HippurateME2506191.050.941.001.141.010.791.041.050.98
5-OxoprolineME2506451.020.920.991.171.090.851.030.960.97
N-Acetyl-L-aspartateME2506770.990.850.961.181.120.891.050.980.97
L-AsparagineME2506720.980.940.921.131.080.871.090.981.00
L-SerineME2506380.990.910.971.121.060.891.040.971.06
L-AspartateME2507490.920.870.901.281.200.741.150.921.02
2,3,5-TrihydroxytolueneME2507710.860.810.811.261.250.811.121.031.05
D-GalacturonateME2507470.890.810.851.201.170.831.230.991.03
Asn-Val-Asn-AsnME2507031.030.770.931.201.240.731.080.961.05
L-GlutamateME2507151.010.790.871.141.170.841.180.891.11
2(alpha-D-Mannosyl)-D-glycerateME2506500.930.850.951.131.220.871.130.911.02
PantothenateME2506750.920.850.921.141.250.821.110.941.04
OrotateME2508130.410.890.531.291.250.961.261.051.35
ThymineME2508220.530.730.521.270.731.051.101.271.33
3-Phospho-D-glycerateME2507770.690.530.631.021.340.981.581.111.12
gamma-L-Glutamyl-L-cysteineME2507020.730.850.640.831.511.171.370.851.05
PhosphoenolpyruvateME2506560.750.630.780.931.361.111.450.861.14
Arg-Phe-Phe-ArgME2506540.810.680.700.841.451.221.420.711.17
sn-Glycerol 3-phosphateME2506370.780.650.740.861.491.121.430.711.23
2-OxoglutaramateME2504310.970.710.600.710.971.181.261.141.38
PS(18:2(9Z,12Z)/0:0)ME2508270.600.690.220.921.251.581.350.891.51
alpha-D-Glucosamine 1-phosphateME2508120.880.770.441.071.191.191.300.981.19
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserineME2508160.740.650.421.081.131.411.230.971.38

Factors:

F1drug treatment:Atovaquone
F2drug treatment:Chloroquine
F3drug treatment:Dihydroartemisisin
F4drug treatment:DMSO
F5drug treatment:MMV00073
F6drug treatment:MMV390482
F7drug treatment:MMV397264
F8drug treatment:OSM-S-291
F9drug treatment:OSM-S-313
Data matrix
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