Clustering data with hclust algorithm for (Study ST000899)

HILIC POSITIVE ION MODE (Analysis AN001463)
MetaboliteStructureF1F2F3
cholateME2295730.262.040.40
pantoprazoleME2296070.002.00NA
fexofenadineME229581NA1.080.92
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)ME2295220.691.400.91
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)ME2295340.741.330.90
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)ME2295140.671.550.78
1,2-dilinoleoyl-GPC (18:2/18:2)ME2295060.741.440.82
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)ME2295290.721.500.79
oleoylcarnitineME2295991.270.601.13
docosahexaenoylcholineME2295791.290.551.16
myristoylcarnitineME2295921.290.551.15
linoleoylcarnitineME2295901.250.651.10
palmitoylcarnitineME2296051.200.701.10
cis-4-decenoyl carnitineME2295751.490.560.95
decanoylcarnitineME2295761.540.480.99
hexanoylcarnitineME2295861.560.480.96
octanoylcarnitineME2295961.570.480.96
myristoleoylcarnitineME2295911.500.331.17
laurylcarnitineME2295881.410.471.12
palmitoleoylcarnitineME2296011.420.421.15
1-stearoyl-2-oleoyl-GPE (18:0/18:1)ME2295600.761.161.08
delta-tocopherolME2295770.731.121.15
1-oleoyl-GPE (18:1)ME2295370.831.171.00
2-aminooctanoateME2295640.911.120.97
oleamideME2295970.921.130.95
1-(1-enyl-palmitoyl)-GPE (P-16:0)ME2295200.881.160.96
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)ME2295230.871.190.94
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)ME2295210.971.100.92
sphingosineME2296300.981.140.89
stearamideME2296320.941.090.97
1-(1-enyl-oleoyl)-GPE (P-18:1)ME2295100.931.080.99
1-linoleoyl-GPC (18:2)ME2295300.921.081.00
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)ME2295380.971.050.98
linoleamide (18:2n6)ME2295890.961.050.98
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)ME2295330.971.070.96
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)ME2295570.981.070.95
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)ME2295120.911.240.85
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)ME2295580.841.220.94
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)ME2295160.861.230.91
1-palmitoleoyl-2-oleoyl-glycerol (16:1/18:1)ME2295400.851.240.91
1-linolenoyl-GPC (18:3)ME2295270.781.250.97
1-linoleoyl-GPE (18:2)ME2295310.791.290.93
oleoyl ethanolamideME2295981.130.681.19
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)ME2295391.090.751.16
stearoylcarnitineME2296341.070.781.14
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME2295490.930.891.18
glycosyl-N-stearoyl-sphingosineME2295840.910.881.21
eicosapentaenoylcholineME2295801.020.761.23
lactosyl-N-palmitoyl-sphingosineME2295870.980.821.20
bilirubin (E,Z or Z,E)ME2295711.340.720.96
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)ME2296281.300.770.92
1-oleoyl-3-linoleoyl-glycerol (18:1/18:2)ME2295351.210.741.05
1-oleoyl-2-linoleoyl-glycerol (18:1/18:2)ME2295321.180.761.06
sphingomyelin (d18:1/18:1, d18:2/18:0)ME2296201.180.771.05
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)ME2296191.120.821.06
stearoyl sphingomyelin (d18:1/18:0)ME2296331.120.791.09
arachidonoyl ethanolamideME2295681.210.780.94
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)ME2296231.240.800.96
tricosanoyl sphingomyelin (d18:1/23:0)ME2296351.230.780.99
sphingomyelin (d18:1/24:1, d18:2/24:0)ME2296251.130.861.02
sphingomyelin (d18:1/20:1, d18:2/20:0)ME2296221.150.831.02
sphingomyelin (d18:2/24:1, d18:1/24:2)ME2296291.170.821.01
1-palmitoyl-2-linoleoyl-glycerol (16:0/18:2)ME2295451.150.880.97
arachidonoylcholineME2295691.200.830.97
cholesterolME2295741.200.830.98
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4)ME2295431.180.870.94
1-arachidonoyl-GPC (20:4n6)ME2295241.190.850.96
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)ME2295551.190.860.95
1-(1-enyl-palmitoyl)-GPC (P-16:0)ME2295190.921.001.08
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)ME2295130.931.041.03
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME2295470.871.061.07
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)ME2295500.901.051.05
dihomo-linolenoyl-cholineME2295780.891.061.05
oleoylcholineME2296000.861.001.14
palmitoloelycholineME2296020.880.971.14
glycosyl-N-palmitoyl-sphingosineME2295830.940.941.12
palmitoylcholineME2296060.930.961.11
1-oleoyl-GPC (18:1)ME2295360.960.961.08
1-palmitoleoyl-GPC (16:1)ME2295420.960.971.07
palmitoyl dihydrosphingomyelin (d18:0/16:0)ME2296030.960.921.12
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)ME2295440.990.921.09
1,2-dioleoyl-GPC (18:1/18:1)ME2295070.970.941.08
N-palmitoyl-sphinganine (d18:0/16:0)ME2295930.970.931.10
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)ME2295281.101.040.86
4-cholesten-3-oneME2295661.101.040.86
sphingomyelin (d18:2/14:0, d18:1/14:1)ME2296261.140.930.92
1-lignoceroyl-GPC (24:0)ME2295261.170.940.90
piperineME2296091.170.950.88
sphinganine-1-phosphateME2296161.071.010.92
1,2-distearoyl-GPC (18:0/18:0)ME2295091.080.980.95
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)ME2295511.060.990.95
1-palmitoleoyl-3-oleoyl-glycerol (16:1/18:1)ME2295411.110.970.92
alpha-tocopherolME2295671.090.970.94
retinol (Vitamin A)ME2296121.100.960.94
1-arachidonoyl-GPE (20:4n6)ME2295251.030.931.03
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME2295461.020.981.00
1-palmitoyl-GPC (16:0)ME2295531.040.961.00
sphingomyelin (d18:1/14:0, d16:1/16:0)ME2296171.040.951.00
gamma-tocopherol/beta-tocopherolME2295820.981.001.02
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME2295590.971.001.03
1-stearoyl-GPE (18:0)ME2295620.971.011.02
sphinganineME2296151.001.020.98
1-stearoyl-GPC (18:0)ME2295611.021.020.96
sphingosine 1-phosphateME2296311.021.010.97
retinalME2296111.110.920.96
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)ME2296241.120.891.00
sphingomyelin (d18:2/16:0, d18:1/16:1)ME2296271.110.891.00
1-palmitoyl-3-linoleoyl-glycerol (16:0/18:2)ME2295521.090.891.02
behenoyl sphingomyelin (d18:1/22:0)ME2295701.100.901.01
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)ME2295111.070.941.00
2-palmitoyl-GPC (16:0)ME2295651.070.931.00
sphingomyelin (d18:1/20:0, d16:1/22:0)ME2296211.090.920.99
1,2-dipalmitoyl-GPC (16:0/16:0)ME2295081.090.911.00
sphingomyelin (d18:1/15:0, d16:1/17:0)ME2296181.080.911.00
N-palmitoyl-sphingosine (d18:1/16:0)ME2295941.020.891.10
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)ME2295561.060.891.05
1-palmitoyl-GPE (16:0)ME2295541.040.901.05
palmitoyl sphingomyelin (d18:1/16:0)ME2296041.050.901.04
campesterolME2295721.060.881.09
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)ME2295151.060.861.08
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME2295481.050.881.07
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)ME2295171.060.871.06
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)ME2295181.060.871.07
solanidineME2296130.370.891.72
spermidineME2296141.040.431.53
13-HOTrEME2295630.950.171.88
hemeME2295850.920.281.81

Factors:

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