Clustering data with hclust algorithm for (Study ST002555)

(Analysis AN004207)
MetaboliteStructureF1F2F3
lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)*ME6190282.860.210.72
lactosyl-N-stearoyl-sphingosine (d18:1/18:0)*ME6190322.870.240.66
N6-methyladenosineME6191222.450.500.55
cystathionineME6189092.670.410.51
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*ME6190292.680.380.56
N-palmitoyltaurineME6191103.420.180.22
glycosyl-N-stearoyl-sphinganine (d18:0/18:0)*ME6189893.110.240.41
N-stearoyltaurineME6191143.160.250.35
N-oleoyltaurineME6191053.080.430.05
N-stearoyl-sphinganine (d18:0/18:0)*ME6191123.040.430.09
2-hydroxystearateME6188032.810.460.26
N6,N6-dimethyladenosineME6191193.020.360.26
uridine 5^-triphosphate (UTP)ME6192752.920.370.33
nicotinamide ribosideME6191282.440.051.46
alpha-tocopherolME6188692.360.251.15
N-acetylputrescineME6190932.300.211.28
2-phosphoglycerateME6188152.650.230.90
3-phosphoglycerateME6188332.500.241.02
phosphoenolpyruvate (PEP)ME6191762.500.211.07
orotidineME6191452.280.730.26
sphingomyelin (d18:0/18:0, d19:0/17:0)*ME6192182.180.780.25
2^-deoxyuridineME6187922.470.630.26
3-amino-2-piperidoneME6188202.370.670.29
3-hydroxyoleate*ME6188252.350.630.39
N-arachidonoyltaurineME6190972.320.650.38
guanineME6189952.040.970.02
Isobar: hexose diphosphatesME6189482.060.810.32
N-palmitoyl-sphinganine (d18:0/16:0)ME6191082.010.900.19
glycerol 3-phosphateME6189742.050.640.67
pseudouridineME6191842.130.600.67
CoAME6189042.170.650.53
guanosine 5^- diphosphate (GDP)ME6189982.070.680.57
xanthosineME6192802.030.710.56
2-hydroxypalmitateME6188022.240.530.69
spermineME6192122.230.560.65
pyridoxal phosphateME6191882.230.440.90
CoA-glutathione*ME6189032.280.450.83
thymidineME6192562.280.460.80
spermidineME6192111.870.740.66
phosphopantetheineME6191781.710.690.91
N-stearoyl-sphingosine (d18:1/18:0)*ME6191131.840.680.80
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME6190301.780.700.81
O-sulfo-L-tyrosineME6191321.800.670.85
acetylphosphateME6188542.000.520.96
1-stearoyl-GPG (18:0)ME6187801.880.441.25
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME6190311.880.451.21
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*ME6189821.800.551.10
pantetheineME6191631.740.621.02
2-methylbutyrylcarnitine (C5)ME6188050.221.500.78
7-HOCAME6188500.271.460.81
1-oleoyl-GPI (18:1)ME6187330.331.490.70
1-stearoyl-GPI (18:0)ME6187810.261.520.70
2^-AMPME6188580.391.530.55
1-oleoylglycerol (18:1)ME6187350.261.650.44
stachydrineME6192380.301.610.48
tryptophylglycineME6192620.291.610.50
1-palmitoleoylglycerol (16:1)*ME6187400.261.610.52
2-palmitoleoylglycerol (16:1)*ME6188120.251.600.56
eicosenoate (20:1n9 or 1n11)ME6189380.271.590.56
ribitolME6191960.161.600.65
octanoylcarnitine (C8)ME6191340.251.570.61
palmitoleoylcarnitine (C16:1)*ME6191510.251.560.63
valylglycineME6192780.291.830.05
alanylleucineME6188650.241.850.06
leucylalanineME6190350.251.840.06
valylglutamineME6192770.261.840.06
maltol sulfateME6190510.201.860.09
threonylphenylalanineME6192550.241.830.11
leucylglycineME6190370.151.910.04
carnosineME6188930.051.880.18
lysylleucineME6190470.181.830.15
1-dihomo-linolenylglycerol (20:3)ME6187070.101.880.13
1-meadoylglycerol (20:3n9)*ME6187160.131.880.11
glycylleucineME6189920.141.870.13
cytidineME6189140.501.710.08
heneicosapentaenoate (21:5n3)ME6190030.491.690.12
HEPESME6190040.431.780.00
leucylglutamine*ME6190360.361.790.06
2-hydroxyglutarateME6188010.341.620.42
gamma-glutamylthreonineME6189590.341.640.39
histidylalanineME6190100.371.590.45
dihomolinolenate (20:3n3 or 3n6)ME6189250.381.610.40
linoleoylcarnitine (C18:2)*ME6190450.391.600.41
ergothioneineME6189400.391.670.28
3-hydroxyoleoylcarnitineME6188260.391.650.32
dihomolinoleate (20:2n6)ME6189240.351.650.35
10-nonadecenoate (19:1n9)ME6187840.371.640.35
N-acetylaspartate (NAA)ME6190800.381.630.36
docosatrienoate (22:3n6)*ME6189340.591.610.19
hexadecasphingosine (d16:1)*ME6190060.531.590.28
docosatrienoate (22:3n3)ME6189330.551.620.21
heptadecasphingosine (d17:1)ME6190050.531.610.24
cyclic dGSHME6189080.491.670.17
docosapentaenoate (DPA; 22:5n3)ME6189310.431.680.22
15-HETEME6187870.461.660.22
phenylalanylglycineME6191720.441.660.24
docosadienoate (22:2n6)ME6189290.451.590.37
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*ME6190440.481.620.27
12-HHTrEME6187850.441.620.31
5-(galactosylhydroxy)-L-lysineME6188440.431.640.30
phosphoethanolamine (PE)ME6191770.131.810.25
hexanoylcarnitine (C6)ME6190070.151.740.36
2-oleoylglycerol (18:1)ME6188090.221.740.31
tyrosylglycineME6192640.191.750.30
2-linoleoylglycerol (18:2)ME6188040.351.720.21
glycylisoleucineME6189910.311.770.15
phenylalanylalanineME6191710.301.780.15
1-docosahexaenoylglycerol (22:6)ME6187080.351.760.13
2-docosahexaenoylglycerol (22:6)*ME6187980.351.770.12
2-arachidonoylglycerol (20:4)ME6187970.371.730.16
1-arachidonylglycerol (20:4)ME6187010.351.740.17
creatine phosphateME6189060.351.750.15
1-linoleoylglycerol (18:2)ME6187140.321.720.24
2-heptadecenoylglycerol (17:1)*ME6187990.301.730.24
2^-deoxycytidineME6187890.261.740.26
1-heptadecenoylglycerol (17:1)*ME6187090.291.720.28
5-hydroxylysineME6188460.281.720.27
gamma-glutamylvalineME6189600.271.700.33
N-acetylglutamateME6190850.331.680.31
arabonate/xylonateME6188710.691.270.78
methylsuccinateME6190640.741.260.75
N-acetylglutamineME6190860.851.230.68
riboflavin (Vitamin B2)ME6191970.781.270.67
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*ME6187440.811.250.69
alpha-ketoglutarateME6188680.791.260.69
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))ME6190740.771.320.58
(16 or 17)-methylstearate (a19:0 or i19:0)ME6186690.751.350.56
(14 or 15)-methylpalmitate (a17:0 or i17:0)ME6186680.751.340.57
o-TyrosineME6191330.751.340.57
1-(1-enyl-stearoyl)-GPE (P-18:0)*ME6186980.821.290.60
threonineME6192540.811.280.63
glutamateME6189660.851.290.57
N-acetyl-glucosamine 1-phosphateME6190760.841.300.56
nonadecanoate (19:0)ME6191300.811.310.57
O-methyltyrosineME6191310.791.320.56
arachidonoylcarnitine (C20:4)ME6188740.641.320.72
serineME6192090.671.330.68
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*ME6192290.661.320.69
13-HODE + 9-HODEME6187860.651.340.67
sphingadienineME6192130.671.330.66
1-methylhistidineME6187190.701.330.64
sphingosineME6192370.681.350.62
phenylalanineME6191700.731.300.66
prolineME6191810.721.300.67
tyrosineME6192630.771.300.63
arginineME6188770.741.320.62
2-O-methylascorbic acidME6188080.731.310.64
valineME6192760.751.300.64
ribonateME6191980.511.410.67
beta-citrylglutamateME6188840.541.400.65
CDP-ethanolamineME6189170.551.400.65
erucate (22:1n9)ME6189410.451.440.67
1-palmitoylglycerol (16:0)ME6187630.441.470.63
methyl glucopyranoside (alpha + beta)ME6190610.461.450.64
oleoylcarnitine (C18:1)ME6191400.551.490.47
10-heptadecenoate (17:1n7)ME6187830.591.490.43
1-margaroylglycerol (17:0)ME6187150.561.520.41
p-cresol sulfateME6191460.541.520.41
gamma-glutamylisoleucine*ME6189550.511.480.52
2-palmitoylglycerol (16:0)ME6188140.471.530.47
3-hydroxypalmitoylcarnitineME6188270.491.510.49
3-formylindoleME6188210.621.380.61
N-acetylserineME6190940.561.430.57
pyridoxateME6191910.581.420.58
1-(1-enyl-oleoyl)-GPE (P-18:1)*ME6186840.641.410.54
1-palmitoyl-GPS (16:0)*ME6187620.631.410.54
creatinineME6189070.601.440.52
eicosenoylcarnitine (C20:1)*ME6189390.611.430.54
N-acetylglucosaminylasparagineME6190840.641.450.46
3-ureidopropionateME6188350.721.420.44
fructosyllysineME6189490.711.390.51
beta-hydroxyisovaleroylcarnitineME6188870.271.371.00
erythritolME6189420.271.361.02
1-lignoceroyl-GPC (24:0)ME6187100.301.271.16
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*ME6191390.331.281.11
oleate/vaccenate (18:1)ME6191350.601.310.78
2-hydroxyadipateME6188000.641.300.76
threonateME6192530.621.300.77
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*ME6191370.571.310.80
2R,3R-dihydroxybutyrateME6188170.541.330.81
propionylcarnitine (C3)ME6191830.531.320.83
N-acetylthreonineME6190960.391.390.83
S-adenosylmethionine (SAM)ME6192060.491.370.76
2-myristoylglycerol (14:0)ME6188070.471.360.80
N-monomethylarginineME6191030.471.370.80
glycochenodeoxycholateME6189810.481.330.85
4-guanidinobutanoateME6188380.511.330.84
myo-inositolME6190650.501.340.82
erythronate*ME6189430.441.340.88
N,N,N-trimethyl-alanylproline betaine (TMAP)ME6190730.451.360.84
taurochenodeoxycholateME6192490.461.350.85
1-myristoylglycerol (14:0)ME6187230.451.310.92
citrateME6189010.401.310.98
palmitoyl-dihomo-linolenoyl-glycerol (16:0/20:3n3 or 6) [2]*ME6191570.381.330.96
N-acetylarginineME6190780.531.241.00
gamma-glutamylglutamineME6189540.521.300.89
aconitate [cis or trans]ME6188550.551.270.91
retinol (Vitamin A)ME6191950.581.260.91
phenol sulfateME6191680.741.600.07
glutathione, reduced (GSH)ME6189710.731.580.11
ophthalmateME6191420.731.590.09
gamma-glutamyl-epsilon-lysineME6189510.661.580.18
nisinate (24:6n3)ME6191290.671.600.13
gamma-glutamylleucineME6189560.621.520.35
mead acid (20:3n9)ME6190570.641.520.32
N-acetylasparagineME6190790.661.500.34
S-(1,2-dicarboxyethyl)glutathioneME6192030.701.530.25
4-cholesten-3-oneME6188370.671.520.29
argininosuccinateME6188780.701.510.28
margaroylcarnitine (C17)*ME6190560.891.470.17
docosahexaenoate (DHA; 22:6n3)ME6189300.801.470.27
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*ME6191060.841.440.27
eicosapentaenoate (EPA; 20:5n3)ME6189370.771.500.23
glycylvalineME6189930.791.520.18
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*ME6187701.191.180.46
inosineME6190191.141.190.48
N-oleoylserineME6191041.151.180.49
linolenate (18:3n3 or 3n6)ME6190411.111.250.39
palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0)ME6191601.141.230.39
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*ME6186951.191.210.39
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)ME6187691.171.200.42
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME6187491.041.230.50
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*ME6187711.011.230.52
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*ME6192251.021.220.54
palmitoyl sphingomyelin (d18:1/16:0)ME6191541.101.160.58
2^-deoxyguanosineME6187901.081.190.53
N-acetylphenylalanineME6190921.071.190.55
eicosanoylsphingosine (d20:1)*ME6189360.961.250.53
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*ME6192330.941.240.57
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*ME6187270.931.280.51
linoleate (18:2n6)ME6190400.901.270.55
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*ME6187460.961.220.60
methionineME6190580.971.210.60
leucineME6190340.911.230.63
pyridoxine (Vitamin B6)ME6191920.881.240.63
gamma-glutamylserineME6189580.831.350.47
palmitoylcarnitine (C16)ME6191610.811.370.46
adrenate (22:4n6)ME6188630.771.390.44
glutamineME6189680.811.380.43
margarate (17:0)ME6190550.801.390.42
glutamate, gamma-methyl esterME6189670.751.450.34
methionine sulfoneME6190590.781.420.39
phenylacetylglycineME6191690.941.300.46
sphinganineME6192140.931.320.43
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*ME6192160.951.310.43
1-stearoyl-GPS (18:0)*ME6187820.921.340.40
nicotinamideME6191250.951.340.38
arachidonate (20:4n6)ME6188730.851.400.35
sphingomyelin (d18:2/21:0, d16:2/23:0)*ME6192320.891.380.35
N-formylphenylalanineME6191010.911.420.26
UDP-glucoseME6192660.931.380.30
2-aminoadipateME6187961.131.280.31
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)ME6187651.051.310.33
stearoylcarnitine (C18)ME6192451.031.330.32
methionine sulfoxideME6190601.101.340.21
isoleucylglycineME6190231.011.410.17
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)ME6192211.041.400.17
cytosineME6189181.480.990.53
2^-O-methylcytidineME6187931.540.980.49
fumarateME6189501.521.010.46
4-hydroxyglutamateME6188401.541.030.39
N-carbamoylaspartateME6190981.451.090.37
7-hydroxycholesterol (alpha or beta)ME6188511.491.060.40
palmitoyl dihydrosphingomyelin (d18:0/16:0)*ME6191521.471.070.39
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*ME6187211.321.020.64
sphingomyelin (d18:2/16:0, d18:1/16:1)*ME6192311.341.030.60
1,2-distearoyl-GPG (18:0/18:0)ME6186821.401.020.56
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*ME6192271.400.990.61
sphingomyelin (d18:2/24:2)*ME6192361.420.990.60
1-arachidonoyl-GPE (20:4n6)*ME6186991.261.120.49
docosapentaenoate (n6 DPA; 22:5n6)ME6189321.281.080.56
UDP-N-acetylglucosamine/galactosamineME6192681.281.080.56
ceramide (d16:1/24:1, d18:1/22:1)*ME6188941.441.050.46
4-hydroxy-nonenal-glutathioneME6188391.381.060.49
sphingomyelin (d18:1/19:0, d19:1/18:0)*ME6192231.381.080.47
tryptophanME6192611.321.150.37
sphingomyelin (d18:2/23:1)*ME6192341.351.120.42
adenosine 5^-diphosphoribose (ADP-ribose)ME6188611.341.110.44
dodecadienoate (12:2)*ME6189351.321.120.44
lanthionineME6190331.301.140.42
sphingomyelin (d17:2/16:0, d18:2/15:0)*ME6192171.271.150.43
glutathione, oxidized (GSSG)ME6189701.740.960.35
N-acetylmethionine sulfoxideME6190901.780.910.39
sphingomyelin (d18:0/20:0, d16:0/22:0)*ME6192191.780.900.43
2^-deoxyinosineME6187911.640.980.39
myristoyl dihydrosphingomyelin (d18:0/14:0)*ME6190681.690.910.49
C-glycosyltryptophanME6188911.791.000.22
tetradecadienoate (14:2)*ME6192501.581.040.34
UDP-glucuronateME6192671.601.050.31
N-acetylglucosamine 6-phosphateME6190821.621.080.22
adenosineME6188571.651.030.29
guanosineME6189961.671.050.24
ceramide (d18:1/17:0, d17:1/18:0)*ME6188961.451.200.15
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*ME6187471.531.120.23
uracilME6192691.491.140.24
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)ME6187681.451.140.27
UDP-galactoseME6192651.461.110.32
dihydroxyacetone phosphate (DHAP)ME6189261.701.120.06
ribulose/xylulose 5-phosphateME6192021.571.190.06
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)ME6187721.540.711.04
S-adenosylhomocysteine (SAH)ME6192051.580.780.87
7-methylguanineME6188521.550.750.94
uridine 5^-diphosphate (UDP)ME6192731.510.770.96
sphingomyelin (d18:1/18:1, d18:2/18:0)ME6192221.290.920.87
ximenoylcarnitine (C26:1)*ME6192811.320.930.82
behenoyl dihydrosphingomyelin (d18:0/22:0)*ME6188811.490.840.84
1-linoleoyl-GPI* (18:2)*ME6187131.420.840.90
lignoceroylcarnitine (C24)*ME6190391.390.880.85
stearoyl sphingomyelin (d18:1/18:0)ME6192411.390.900.81
adenineME6188561.590.820.78
malateME6190481.480.940.64
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)ME6187561.440.920.73
3-methylcytidineME6188301.490.900.72
adenosine 3^,5^-cyclic monophosphate (cAMP)ME6188591.480.880.76
hypoxanthineME6190151.480.870.77
succinateME6192461.340.611.43
1-linoleoyl-GPE (18:2)*ME6187121.300.671.37
gulonate*ME6190011.280.661.40
N-acetylcysteineME6190811.460.551.44
serotoninME6192101.370.541.56
1-stearoyl-2-oleoyl-GPG (18:0/18:1)ME6187751.640.571.22
1-oleoyl-GPG (18:1)*ME6187321.430.701.18
1-methyladenosineME6191161.580.631.16
3-sulfo-L-alanineME6188341.520.641.20
phosphocholineME6189001.490.651.22
guanosine 5^-diphospho-fucoseME6190001.340.751.17
methylmalonate (MMA)ME6190621.280.731.25
stearoyl ethanolamideME6192401.330.711.25
ribose 1-phosphateME6192001.380.810.99
1-linoleoyl-GPC (18:2)ME6187111.350.791.07
methylphosphateME6190631.400.771.05
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*ME6189841.270.811.10
N6-acetyllysineME6191211.250.821.10
N-acetylmethionineME6190891.300.831.03
pipecolateME6191801.320.821.04
1-oleoyl-GPE (18:1)ME6187310.820.931.31
FADME6189450.790.941.32
1-palmitoleoyl-GPC* (16:1)*ME6187390.830.951.27
mannose 6-phosphateME6190540.780.971.29
(R)-3-hydroxybutyrylcarnitineME6186700.800.961.28
1-stearoyl-GPE (18:0)ME6187790.700.991.32
gamma-glutamylmethionineME6189570.711.021.25
3-hydroxyisobutyrateME6188230.611.011.37
glucosamine-6-phosphateME6189620.591.001.42
1,2-dioleoyl-GPI (18:1/18:1)ME6186760.551.011.43
UMPME6192740.570.991.44
cholineME6188990.730.861.55
pyridoxamineME6191890.760.841.55
malonylcarnitineME6190500.790.841.52
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME6187510.790.861.50
lactateME6190270.790.851.51
glucose 6-phosphateME6189640.760.891.47
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*ME6191560.750.881.50
thiamin (Vitamin B1)ME6192510.690.921.47
1-(1-enyl-palmitoyl)-GPE (P-16:0)*ME6186940.650.911.53
1,2-dipalmitoyl-GPE (16:0/16:0)*ME6186790.630.931.50
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*ME6191551.000.691.63
allantoinME6188660.980.721.57
inositol 1-phosphate (I1P)ME6190200.980.721.58
1-methylnicotinamideME6187201.110.691.51
pyruvateME6191941.030.731.51
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*ME6189851.100.801.30
pyridoxamine phosphateME6191901.110.791.30
ceramide (d18:1/14:0, d16:1/16:0)*ME6188951.040.791.38
pantothenate (Vitamin B5)ME6191641.090.771.37
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)ME6187541.110.751.40
N6,N6-dimethyllysineME6191201.110.751.39
glycerophosphoglycerolME6189760.920.841.39
glycerophosphoinositol*ME6189770.910.841.42
2-palmitoyl-GPC* (16:0)*ME6188130.890.821.47
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*ME6187420.930.821.44
oleoylcholineME6191410.940.811.44
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*ME6187290.950.791.46
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*ME6187550.940.801.46
3-methyl-2-oxovalerateME6188290.880.881.37
CMPME6189150.890.881.35
1,2-dioleoyl-GPE (18:1/18:1)ME6186750.840.851.46
folateME6189460.860.861.42
palmitoylcholineME6191620.980.881.26
sphingomyelin (d18:2/14:0, d18:1/14:1)*ME6192300.990.891.22
1,2-dipalmitoyl-GPC (16:0/16:0)ME6186780.990.921.18
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)ME6187451.030.891.19
cytidine 5^-monophospho-N-acetylneuraminic acidME6189160.920.891.30
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*ME6186860.960.881.29
N-stearoyl-sphingadienine (d18:2/18:0)*ME6191110.950.881.29
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)ME6187520.960.831.37
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*ME6186851.000.841.33
4-imidazoleacetateME6188420.970.851.33
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*ME6191580.631.101.18
(S)-3-hydroxybutyrylcarnitineME6186710.681.081.16
1-methyl-4-imidazoleacetateME6187170.641.061.24
pyroglutamine*ME6191930.581.101.23
1-methyl-5-imidazoleacetateME6187180.591.181.06
phytosphingosineME6191790.641.131.09
isovalerylcarnitine (C5)ME6190240.481.181.15
glycerophosphorylcholine (GPC)ME6189780.581.141.15
palmitoleate (16:1n7)ME6191480.541.151.15
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*ME6186960.801.011.17
lignoceroyl sphingomyelin (d18:1/24:0)ME6190380.831.011.16
5-oxoprolineME6188490.741.061.15
ceramide (d18:2/24:1, d18:1/24:2)*ME6188970.761.061.12
glycerolME6189730.761.051.14
pyridoxalME6191870.771.081.07
2S,3R-dihydroxybutyrateME6188180.701.111.08
5-methylthioadenosine (MTA)ME6188470.731.101.07
dimethylglycineME6189280.641.200.96
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME6191380.681.190.94
glycineME6189800.721.131.02
ribulonate/xylulonate/lyxonate*ME6192010.741.131.00
2-methylcitrate/homocitrateME6188060.691.161.00
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*ME6192440.671.151.04
2-stearoyl-GPE (18:0)*ME6188160.861.071.00
carnitineME6188920.851.061.04
palmitate (16:0)ME6191470.831.061.05
beta-hydroxyisovalerateME6188860.791.150.90
1-oleoyl-GPS (18:1)ME6187340.791.120.97
tricosanoyl sphingomyelin (d18:1/23:0)*ME6192590.801.100.99
1,2-dioleoyl-GPC (18:1/18:1)ME6186740.871.090.96
3-methylhistidineME6188320.871.100.94
1-oleoyl-GPC (18:1)ME6187300.851.110.93
N-acetylhistidineME6190870.841.130.91
N-palmitoyl-sphingadienine (d18:2/16:0)*ME6191071.120.841.19
N6-methyllysineME6191231.140.861.13
gamma-glutamylglutamateME6189531.170.871.08
1-stearoyl-2-oleoyl-GPS (18:0/18:1)ME6187771.170.861.11
orotateME6191441.160.871.10
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*ME6187241.090.941.04
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*ME6192421.130.921.04
arachidoylcarnitine (C20)*ME6188751.140.970.91
behenoyl sphingomyelin (d18:1/22:0)*ME6188821.160.950.93
glucuronateME6189651.170.950.93
5-methyluridine (ribothymidine)ME6188481.160.950.95
phenol redME6191671.160.940.96
3-methylglutaconateME6188310.911.011.08
N6,N6,N6-trimethyllysineME6191180.921.011.06
phosphateME6191750.971.001.02
3-hydroxy-3-methylglutarateME6188220.970.981.07
asparagineME6188790.980.981.06
3-hydroxylaurateME6188240.930.951.17
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME6187500.950.941.17
sphingomyelin (d18:1/20:0, d16:1/22:0)*ME6192240.950.941.16
1-ribosyl-imidazoleacetate*ME6187640.960.961.12
1-stearoyl-2-oleoyl-GPE (18:0/18:1)ME6187740.980.961.10
2^-deoxyadenosine 5^-monophosphateME6187880.990.951.11
glycerophosphoserine*ME6189791.000.951.11
lysineME6190461.081.030.86
N-glycolylneuraminateME6191021.081.020.88
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME6187670.921.080.92
2,4-dihydroxybutyrateME6187950.971.030.96
arachidate (20:0)ME6188720.941.060.94
malonateME6190490.941.060.94
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*ME6187260.941.050.97
4-acetamidobutanoateME6188360.931.050.97
cholesterolME6188981.040.990.98
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*ME6192431.020.991.01
oleoyl ethanolamideME6191361.061.000.94
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)ME6187411.031.030.92
linoleoyl ethanolamideME6190421.021.020.94
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*ME6187571.001.040.91
gamma-glutamylcysteineME6189521.001.030.94
isovalerylglycineME6190251.001.040.93
creatineME6189050.981.130.75
isoleucineME6190220.971.150.72
stearate (18:0)ME6192390.971.150.72
hippurateME6190080.931.190.69
pentadecanoate (15:0)ME6191660.971.180.67
prolylglycineME6191820.991.160.69
dimethylarginine (ADMA + SDMA)ME6189270.981.110.80
1,2-dilinoleoyl-GPC (18:2/18:2)ME6186720.961.130.78
pterinME6191850.961.130.79
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME6187481.041.100.75
N-acetylleucineME6190881.011.100.79
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*ME6187361.051.070.82
2,4-di-tert-butylphenolME6187941.021.080.82
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME6187730.891.140.82
sphingomyelin (d18:1/24:1, d18:2/24:0)*ME6192280.891.130.85
alanineME6188640.841.200.77
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*ME6187250.791.180.84
1-stearoyl-GPC (18:0)ME6187780.781.210.80
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*ME6187281.161.100.64
aspartateME6188801.171.110.61
N-palmitoyl-sphingosine (d18:1/16:0)ME6191091.141.090.68
N-delta-acetylornithineME6190991.101.110.68
sphingomyelin (d17:1/14:0, d16:1/15:0)*ME6192151.111.110.66
1-arachidonoyl-GPI* (20:4)*ME6187001.201.060.68
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)ME6187661.221.040.70
riboseME6191991.310.980.73
nervonoylcarnitine (C24:1)*ME6191241.251.010.74
uridineME6192711.281.010.69
histidineME6190091.141.030.81
hydroxyprolineME6192581.171.040.75
glutarate (C5-DC)ME6189691.190.970.86
N-acetylalanineME6190771.240.960.84
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*ME6192261.230.960.86
sphingomyelin (d18:1/14:0, d16:1/16:0)*ME6192201.260.980.78
sphingomyelin (d18:2/24:1, d18:1/24:2)*ME6192351.230.980.80
N2,N2-dimethylguanosineME6191171.201.010.77
penicillin GME6191651.201.000.81
glycerateME6189720.590.073.27
1,2-dipalmitoleoyl-GPE (16:1/16:1)*ME6186770.300.253.20
argininate*ME6188760.280.283.15
N1,N12-diacetylspermineME6191150.280.283.16
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*ME6186870.480.233.07
1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)*ME6187380.360.303.03
2-palmitoleoyl-GPC* (16:1)*ME6188110.420.283.02
sedoheptuloseME6192070.080.093.75
cystineME6189130.030.433.12
phenyllactate (PLA)ME6191730.040.333.30
S-1-pyrroline-5-carboxylateME6192040.080.173.57
xanthineME6192790.060.213.51
gluconateME6189610.250.143.48
urateME6192700.140.243.38
diacetylspermidine*ME6189200.210.213.37
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*ME6189220.210.223.36
NAD+ME6191261.620.092.20
nicotinamide ribonucleotide (NMN)ME6191271.310.052.60
1,2-dipalmitoyl-GPI (16:0/16:0)*ME6186811.680.331.67
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME6189881.090.471.98
1-palmitoyl-GPG (16:0)*ME6187601.250.362.04
N-acetyltaurineME6190951.190.372.06
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*ME6189831.370.381.86
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)ME6189901.390.292.04
kynurenineME6190260.071.061.80
1-palmitoyl-GPI* (16:0)ME6187610.291.111.49
mannitol/sorbitolME6190520.161.281.28
N-acetyl-aspartyl-glutamate (NAAG)ME6190750.291.191.33
4-hydroxyphenylpyruvateME6188410.050.772.41
phenylpyruvateME6191740.060.852.25
3-(4-hydroxyphenyl)lactate (HPLA)ME6188190.140.482.90
N(^1)-acetylspermidineME6190700.140.552.76
cysteine-glutathione disulfideME6189120.100.672.56
tiglyl carnitine (C5)ME6192570.180.632.56
alpha-hydroxyisovalerateME6188670.290.492.72
betaineME6188880.250.582.60
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*ME6191500.270.552.63
sedoheptulose-7-phosphateME6192080.430.392.78
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*ME6186910.590.352.71
cysteineME6189100.530.352.77
butyrylcarnitine (C4)ME6188900.360.592.45
1-carboxyethylvalineME6187060.420.592.40
palmitoleoyl ethanolamide*ME6191490.470.592.35
beta-alanineME6188830.430.482.60
guanidinoacetateME6189940.400.522.55
imidazole lactateME6190160.410.532.52
bilirubinME6188890.630.442.49
thioprolineME6192520.520.492.51
5-aminovalerateME6188450.550.722.00
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*ME6187430.610.711.98
1-palmitoyl-GPC (16:0)ME6187580.620.682.01
1-(1-enyl-palmitoyl)-GPC (P-16:0)*ME6186930.720.731.83
beta-guanidinopropanoateME6188850.670.721.90
N(1)-acetylspermineME6190710.680.681.96
N-acetylneuraminateME6190910.710.681.93
myristate (14:0)ME6190660.720.781.71
1-carboxyethylleucineME6187030.670.831.68
1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)*ME6187370.710.811.66
3^-AMPME6188600.900.731.65
hemeME6190020.890.701.72
N-formylmethionineME6191000.870.721.69
palmitoyl ethanolamideME6191530.890.711.68
1,2-dilinoleoyl-GPE (18:2/18:2)*ME6186730.840.701.77
N-acetylglucosamine/N-acetylgalactosamineME6190830.830.681.81
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]*ME6189210.750.751.76
putrescineME6191860.800.731.74
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)ME6186970.560.901.64
uridine 3^-monophosphate (3^-UMP)ME6192720.540.921.63
1-carboxyethylphenylalanineME6187040.550.861.74
N,N,N-trimethyl-5-aminovalerateME6190720.420.941.70
5^- GMPME6189990.470.911.71
homostachydrine*ME6190120.510.901.70
deoxycarnitineME6189190.351.001.64
glucoseME6189630.450.981.58
myristoylcarnitine (C14)ME6190690.450.991.56
2-oxoarginine*ME6188100.220.862.06
indolelactateME6190180.230.882.02
hypotaurineME6190140.340.921.82
isobutyrylcarnitine (C4)ME6190210.350.931.78
AMPME6188620.420.881.82
glycerophosphoethanolamineME6189750.370.881.87
hydroxy-N6,N6,N6-trimethyllysine*ME6190130.360.822.00
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*ME6190430.410.831.93
fructoseME6189470.420.821.95
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*ME6191590.410.821.94
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*ME6186830.470.791.95
acetylcarnitine (C2)ME6188530.460.771.99
guanosine 3^-monophosphate (3^-GMP)ME6189970.600.781.83
1-carboxyethyltyrosineME6187050.530.791.89
trigonelline (N^-methylnicotinate)ME6192600.470.831.87
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))*ME6189860.560.562.32
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*ME6189870.660.542.25
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*ME6186890.700.512.28
myristoleate (14:1n5)ME6190670.660.522.30
mannoseME6190530.390.732.16
taurineME6192480.400.752.11
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*ME6186900.530.662.14
1-carboxyethylisoleucineME6187020.540.672.11
1-palmitoyl-GPE (16:0)ME6187590.560.632.17
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*ME6186880.560.612.22
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*ME6189230.540.632.21
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*ME6187530.930.412.25
homocysteineME6190111.020.402.17
succinylcarnitine (C4-DC)ME6192470.830.402.37
1,2-dipalmitoyl-GPG (16:0/16:0)ME6186800.970.342.34
cysteine sulfinic acidME6189111.000.302.41
arabitol/xylitolME6188701.070.571.79
citrullineME6189020.810.502.19
imidazole propionateME6190170.740.572.12
ornithineME6191430.890.512.09
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*ME6187760.930.492.09
4-methyl-2-oxopentanoateME6188430.930.512.06
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*ME6186920.830.591.99
3-methyl-2-oxobutyrateME6188280.840.601.96
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)ME6187220.890.571.98
ethylmalonateME6189440.930.541.99

Factors:

F1Genotype:FTE (Normal)
F2Genotype:SCC-PDOCC (Cancer)
F3Genotype:SNU-PDOCC (Cancer)
Data matrix
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