Clustering data with hclust algorithm for Alterations in Lipid, Amino Acid, and Energy Metabolism Distinguish Crohn Disease from Ulcerative Colitis and Control Subjects by Serum Metabolomic Profiling (Study ST000899)

HILIC NEGATIVE ION MODE (Analysis AN001465)
MetaboliteStructureF1F2F3
salicylateME2300120.170.092.74
erythritolME2299742.520.220.25
3-hydroxybutyrate (BHBA)ME2299601.200.111.69
galactonateME2299790.681.600.57
mannitol/sorbitolME2299941.041.600.36
2,3-dihydroxyisovalerateME2299540.471.231.13
3-hydroxyisobutyrateME2299611.560.601.27
2-hydroxybutyrate/2-hydroxyisobutyrateME2299551.390.551.05
creatineME2299721.340.810.85
3-methylglutaconateME2299621.350.710.94
myo-inositolME2299981.350.750.90
methylmalonate (MMA)ME2299961.151.010.85
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)ME2299501.021.090.89
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)ME2299531.081.000.91
alanineME2299651.071.030.90
1-arachidonoyl-GPA (20:4)ME2299481.041.020.94
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)ME2299491.031.050.91
malonateME2299921.210.830.96
pyruvateME2300081.200.820.98
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME2299521.200.860.94
N-acetylglutamateME2300011.170.880.94
5-acetylamino-6-amino-3-methyluracilME2299631.210.920.84
trans-4-hydroxyprolineME2300161.260.880.86
imidazole lactateME2299901.240.880.89
N-delta-acetylornithineME2300041.210.900.89
2-isopropylmalateME2299571.250.771.02
3-hydroxy-3-methylglutarateME2299591.230.780.99
N-acetylserineME2300021.170.741.09
N-acetylthreonineME2300031.150.761.09
alpha-ketoglutarateME2299671.210.731.06
N-acetylaspartate (NAA)ME2300001.190.731.07
3-hydroxy-2-ethylpropionateME2299581.180.781.04
ethylmalonateME2299761.190.761.05
5-acetylamino-6-formylamino-3-methyluracilME2299641.120.900.92
dihydroorotateME2299731.100.881.01
2-hydroxyglutarateME2299561.130.880.99
erythronate*ME2299751.120.900.98
asparagineME2299701.090.950.95
threonateME2300151.090.920.98
allantoinME2299661.070.901.03
glucuronateME2299821.040.901.06
ribitolME2300101.040.921.05
glucoseME2299811.050.951.00
guanidinoacetateME2299871.050.941.01
citrullineME2299711.040.980.99
phenylpyruvateME2300071.031.000.98
gulonic acid*ME2299881.020.871.13
ribonateME2300111.040.831.13
fumarateME2299781.140.831.04
N-acetylalanineME2299991.150.831.03
arabitol/xylitolME2299681.110.851.03
methylsuccinateME2299971.120.841.04
serineME2300131.130.841.03
succinateME2300141.090.861.05
arabonate/xylonateME2299691.090.841.08
gluconateME2299801.100.831.06
glycerateME2299841.100.821.07
glycerophosphoethanolamineME2299850.930.931.14
glycerophosphorylcholine (GPC)ME2299860.930.921.15
hydantoin-5-propionic acidME2299891.080.641.24
orotateME2300051.040.761.20
mannoseME2299951.070.741.19
orotidineME2300061.090.751.16
maleateME2299910.931.100.97
fructoseME2299770.811.171.02
maltoseME2299930.811.101.08
glutarate (pentanedioate)ME2299830.841.420.74
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*ME2299510.971.210.81
quinateME2300090.941.280.64

Factors:

F1Type:Control
F2Type:Crohn disease
F3Type:Ulcerative Colitis
Data matrix
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