Clustering data with hclust algorithm for Identification of altered metabolic pathways in Alzheimer's disease, mild cognitive impairment and cognitively normals using Metabolomics (plasma) (Study ST000046)

MS negative ion mode/C18 (Analysis AN000078)
MetaboliteStructureF1F2F3
1-Naphthylbeta-D-glucuronideME6493310.941.700.42
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitaminD3/(22S)-1alpha,22,2ME6493030.751.800.60
5beta-Androstan-3alpha-ol-17-onesulfateME6493741.790.760.73
MurocholicacidME6495501.700.690.69
RitodrineglucuronideME6496120.811.080.66
Glycoursodeoxycholicacid-8.816933ME6494990.901.460.78
N-Acetyl-5-aminosalicylicacidME6495530.871.430.74
13E,17-octadecadienoicacidME6493130.951.300.76
Pyruvicacid-1.0565577ME6496060.951.230.78
Pyruvicacid-1.1454303ME6496070.921.270.80
TestosteronesulfateME6496220.871.330.78
4Z,7Z,10Z,13Z-eicosatetraenoicacidME6493720.831.360.82
a-hydroxybutyrateME6493950.851.310.83
4,7,10,13,16-docosapentaenoicacidME6493660.811.220.82
2,2-DimethylsuccinicacidME6493320.801.290.89
EMODICACID-4.837887ME6494750.901.250.86
2-EthylisonicotinicacidME6493390.881.290.86
AcetoinME6493920.861.270.87
Pyruvicacid-2.9096313ME6496100.871.250.87
SedoheptuloseME6496150.811.610.87
2-propyl-tridecanoicacid-14.579373ME6493540.861.510.55
a-hydroxybutyrate-2.5272808ME6493960.731.500.66
5beta-Androstan-3alpha-ol-17-onesulfate-7.384574ME6493751.480.950.59
2-methyl-tridecanedioicacidME6493511.340.880.73
ISOPIMPINELLINME6495241.380.890.68
GlyoxylicacidME6495011.400.920.86
MetHisLysME6495391.410.890.97
ArabinoseME6494031.290.770.85
PSOROMICACIDME6495951.310.840.81
ValGlyME6496411.140.870.91
1-Hydroxy-2-naphthoicacid-2.7467046ME6493231.210.910.92
D1-2-HydroxymethylethisteroneME6494331.180.890.93
ChlorogenicacidME6494231.230.870.89
SerProME6496181.230.870.86
PheAlaArgME6495761.200.830.96
10-oxo-decanoicacidME6493121.240.850.92
Glyoxylicacid-1.0549864ME6495021.200.830.91
4-HydroxypyridineME6493701.190.750.99
L-gamma-Cyano-gamma-aminobutyricacidME6495361.350.780.93
StearicacidME6496201.330.780.93
gamma-HydroxyphenylbutazoneglucuronideME6494841.290.720.97
thyrotropinreleasinghormoneME6496261.260.810.97
GemfibrozilM2ME6494851.300.780.98
GlucoheptonicacidME6494861.250.760.96
Phenol-5.4386764ME6495811.270.760.99
5-octadecylenicacidME6493791.051.220.74
D1-2-Hydroxymethylethisterone-14.223754ME6494371.091.120.75
PantothenicAcidME6495701.131.120.82
4-HydroxybenzenesulfonicacidME6493691.201.120.69
PhenolME6495801.201.100.70
2-Hydroxyethinylestradiol-14.280895ME6493461.151.060.77
5Z,11Z,14Z-eicosatrienoicacidME6493801.141.080.74
19-hydroxy-17-oxoandrost-5-en-3-beta-ylsulfateME6493151.181.050.80
ArgAsnGlnME6494041.221.050.76
N(pai)-Methyl-L-histidineME6495511.211.080.52
7-palmitoleicacidME6493871.281.220.52
guaifenesinME6495061.251.300.52
O-Desmethylnaproxen-2.6572826ME6495600.801.171.02
PYROGALLINME6496010.761.170.97
FluoresceinME6494790.881.141.00
Dihydroxyacetone(glycerone)ME6494520.881.121.01
GlutaconicacidME6494880.881.111.01
Glutaconicacid-1.5243738ME6494910.851.150.98
PenicillinG-3.6869733ME6495740.861.120.98
Oxipurinol-1.6762943ME6495660.811.101.04
Tyrosine-1.7685826ME6496320.831.121.06
1-Hydroxy-2-naphthoicacid-3.09768ME6493240.831.131.02
AspAsnGluME6494090.841.131.03
1-Hydroxy-2-naphthoicacid-4.3362813ME6493260.871.121.04
PenicillinGME6495720.851.101.03
1-METHYLXANTHINEME6493280.791.131.06
METHYL7-DESHYDROXYPYROGALLIN-4-CARBOXYLATEME6495400.791.121.09
TolbutamideME6496270.821.011.10
DiphenylmethylphosphineoxideME6494560.801.061.09
3-Methyl-2-oxovalericacid-3.889969ME6493610.841.081.08
a-hydroxybutyrate-2.6625693ME6493970.831.091.07
AcetoaceticacidME6493910.861.061.08
TryptophanME6496300.851.061.09
10-hydroxycapricacidME6493090.851.061.05
PhensuximideME6495820.831.051.07
ISOEUGENITOLME6495190.851.200.94
IsopentadecylicacidME6495230.911.210.91
D-PhenyllacticacidME6494601.021.180.81
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerolME6493070.991.180.83
9,12,14-octadecatrienoicacidME6493880.991.190.82
MethyljasmonateME6495461.011.140.84
5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one,1a,8b-dihydro-3-methoxy-ME6493761.021.150.86
DiflunisalME6494471.011.140.86
GlycineME6494950.971.150.82
3-Dehydroquinicacid-1.6222234ME6493570.981.150.84
Uricacid-1.3627466ME6496360.991.150.84
BilirubinME6494171.021.140.90
10-methyl-hexadecanoicacidME6493110.981.110.90
alpha-HydroxytriazolamME6494001.001.090.91
ArginineME6494071.001.100.91
MannitolME6495370.911.170.94
b-GlucoseME6494160.921.140.92
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA-0.88713235ME6493820.921.130.95
IsoquinolineN-oxideME6495250.921.130.94
Embelin-14.352174ME6494710.981.150.88
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerolME6493060.971.140.90
b-D-Glucopyranosiduronicacid,(3b,5b)-17-oxoestran-3-ylME6494110.961.150.89
p-MethylolphenolME6495860.961.120.92
Embelin-13.636489ME6494680.951.150.92
TRIDESACETOXYKHIVORINME6496280.951.150.94
ValMetCysME6496420.971.040.99
SuccinicanhydrideME6496210.971.050.97
1-Hydroxy-2-naphthoicacid-3.6412473ME6493250.971.040.98
2,3-DiaminopropionicacidME6493330.971.050.98
TyrTyrMetME6496330.951.060.99
p-HYDROXYCINNAMALDEHYDEME6495850.961.050.99
2-HydroxyethinylestradiolME6493430.951.051.00
EmbelinME6494670.961.041.00
DihydroquercetinME6494510.981.020.99
Ne-Methyl-L-lysineME6495560.981.021.00
2,4-DINITROPHENOLME6493370.991.031.01
UridineME6496370.971.031.01
2,3-DioxogulonicacidME6493350.951.041.01
GlyAsnTyrME6494930.951.031.01
,4-DihydroxyphenylpropionicacidME6493050.961.041.02
SerHisHisME6496170.951.041.02
DIHYDROMUNDULETONEME6494490.941.021.01
CilastatinME6494260.961.021.02
D-LeucicacidME6494580.951.011.02
2-KetoglutaricAcidME6493490.961.080.94
UricacidME6496351.011.030.96
BenzylalcoholME6494131.001.030.97
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREAME6493810.991.040.97
ArgCysPhe-10.132811ME6494060.991.040.97
Embelin-14.229529ME6494700.981.080.95
Glutaconicacid-0.98035145ME6494890.991.070.94
3-DehydroquinicacidME6493560.991.060.97
9-deoxy-9-methylene-16,16-dimethyl-PGE2ME6493890.981.060.95
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonideME6493830.991.050.95
O-Desmethylnaproxen-3.7390716ME6495610.991.050.96
OxalaceticacidME6495630.941.080.98
PheArgGluME6495770.931.080.97
Pyruvicacid-1.2166147ME6496080.941.080.97
Uridine-1.910261ME6496380.911.100.96
TetrahydrofuranME6496230.921.090.98
Pyroglutamicacid-1.5171912ME6496040.901.110.99
2,4-dihydroxy-2-heptenediocacidME6493360.911.100.98
Embelin-13.931011ME6494690.911.100.99
3-oxo-dodecanoicacidME6493640.901.050.98
ProcarbazineME6495890.941.061.00
CysThrArgME6494320.941.061.01
methyl9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoateME6495420.941.051.01
2-amino-4^-hydroxy-PropiophenoneME6493380.931.071.00
MethionineME6495380.941.070.99
EllagicacidME6494650.901.071.00
ChloramphenicolalcoholME6494220.931.071.03
1-Hydroxy-2-naphthoicacidME6493210.921.071.01
EMODICACIDME6494740.921.071.01
Lactaldehyde-2.5228448ME6495300.911.071.02
THIODIGLYCOLME6496240.911.081.02
IsovalericacidME6495270.931.041.02
PanaxytriolME6495680.931.031.03
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-10.308402ME6493850.931.041.04
IsoleucineME6495200.931.041.03
Pyroglutamicacid-1.2783064ME6496030.941.041.03
5-Methoxyindoleacetate-5.326242ME6493780.911.041.03
Dihydroxyacetone(glycerone)-1.278433ME6494530.921.031.04
MIGLITOLME6495480.931.021.05
ProTrpIleME6495930.931.011.05
Diacetyl-1.5030674ME6494460.911.031.06
isoamylnitriteME6495180.921.021.06
IndoleME6495120.901.051.06
3-Methyl-2-oxovalericacidME6493600.891.061.04
KOBUSONEME6495280.901.051.04
TyrosineME6496310.901.091.03
Bilirubin-14.711075ME6494180.881.081.04
GlycericacidME6494940.871.091.04
1-Hydroxy-2-naphthoicacid-1.4369344ME6493220.910.921.11
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione16,17-acetonide-10.120011ME6493840.930.951.10
1-NaphthoicacidglucuronideME6493300.970.971.12
1-METHYLXANTHINE-3.0002494ME6493290.950.971.10
clavuloneI-10.898006ME6494300.940.981.12
Erythrono-1,4-lactone-1.9339892ME6494780.920.981.09
RibuloseME6496110.940.981.08
3,9,15-DocosatriynoicacidME6493550.921.001.07
DesmosineME6494410.931.001.08
D-HomoserineME6494430.930.991.08
LeucineME6495340.951.001.05
Ellagicacid-3.0542476ME6494660.950.991.06
PhenylsulfateME6495830.950.991.05
GlutamateME6494920.960.981.07
LactaldehydeME6495290.950.981.07
9R-hydroxy-12E-octadecenoicacidME6493900.970.981.06
EPIGALLOCATECHINME6494760.970.971.07
10-hydroxycapricacid-8.739356ME6493101.030.901.06
ProAspME6495881.040.891.05
Erythrono-1,4-lactoneME6494771.030.931.04
MetLysSerME6495471.050.921.04
PyrocatecholsulfateME6496001.010.901.09
ROTENONICACID,METHYLETHERME6496131.010.921.10
Furan2,5-dicarboxylicacidME6494811.010.941.06
(S)-2-HydroxyglutarateME6493040.990.951.07
PheGlyThrME6495791.000.971.03
DiphenylmethylphosphineME6494551.000.961.04
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6495041.010.961.03
O-BENZYL-l-SERINEME6495580.990.971.04
DL-OrnithineME6494590.970.981.04
edetate-1.1820154ME6494640.980.981.04
threo-IsocitricacidME6496250.980.981.04
Isoacitretin-10.899509ME6495161.000.981.02
Glyoxylicacid-1.2737006ME6495031.000.981.02
HistidineME6495101.000.981.02
2-Hydroxyethinylestradiol-10.318296ME6493440.990.991.02
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid(GemfibrozilM1)ME6493730.990.981.02
SodiumtetradecylsulfateME6496190.991.001.01
VALDECOXIB-0.9111763ME6496401.000.991.01
UbiquinoneME6496341.000.991.01
D1-2-Hydroxymethylethisterone-11.471997ME6494351.000.991.01
Purine-1.1716841ME6495971.000.991.01
Acetoin-3.5205564ME6493931.001.001.00
AspHisME6494101.001.001.01
PyroglutamicacidME6496020.971.001.03
AmoxicillinME6494010.981.001.02
GlyHisAsnME6495000.981.001.02
ChloralhydrateME6494210.981.001.03
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONEME6493470.980.991.03
DihydromyricetinME6494500.980.991.03
TrpMetME6496290.981.011.01
2-Furoicacid-1.2499225ME6493410.981.011.01
OxaloglutarateME6495640.981.011.01
ISOLIQUIRITIGENINME6495220.971.011.02
Methylglyoxal-1.2775441ME6495450.971.011.02
edetate-0.93380904ME6494631.001.010.99
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha,25-dihydroxy-11alpha-phenylcholecalciferol-14.324497ME6493171.011.010.98
ProTrpHis-10.727135ME6495921.011.010.97
a-hydroxyisovalerateME6493981.011.020.97
PurineME6495961.011.020.98
B-ureidoisobutyricacidME6494191.020.990.99
Furan2,5-dicarboxylicacid-1.2302623ME6494821.020.990.99
Embelin-9.58408ME6494731.011.000.99
ProTrpHisME6495911.011.000.99
SerAspGlyME6496161.031.010.97
LeuTyrMetME6495351.021.000.98
ANHYDROBRAZILICACIDME6494021.021.000.97
Glutaconicacid-1.2568557ME6494901.021.000.97
2-propyl-tridecanoicacidME6493531.031.010.95
Panaxytriol-11.995774ME6495691.040.990.96
Dihydroxyacetone(glycerone)-1.3661408ME6494541.040.990.97
edetateME6494621.040.990.97
HistamineME6495091.020.971.01
IsoacitretinME6495141.030.951.02
Isoleucine-2.0780413ME6495211.030.961.02
PhePheME6495841.040.980.99
VALDECOXIBME6496391.040.980.98
EcgonineME6494611.040.971.00
Embelin-14.664187ME6494721.030.970.99
2-FuroicacidME6493401.030.981.00
3-MethylsubericacidME6493631.030.980.99
3-OxovalproicacidME6493651.060.970.97
Dehydroascorbicacid-1.251309ME6494391.050.970.97
Diacetyl-1.259489ME6494451.050.960.99
2-Keto-glutaramicacidME6493481.060.950.99
6-HydroxynicotinicacidME6493861.060.960.98
FumaricacidME6494801.060.960.98
LactateME6495311.100.921.00
CholesterolsulfateME6494251.100.920.97
Methylglyoxal-1.0418581ME6495441.110.940.97
PenicillinG-1.967217ME6495731.110.940.98
CitraconicacidME6494271.050.930.99
DiacetylME6494441.070.921.00
PregnanolonesulfateME6495871.070.931.03
DehydroascorbicacidME6494381.070.911.02
MethylglyoxalME6495431.090.911.02
HippuricacidME6495081.110.861.03
L-arabitolME6495321.110.870.99
IdebenoneMetabolite(Benzenebutanoicacid,2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-)ME6495111.130.861.07
PyrocatecholME6495981.090.841.08
GlycolicacidME6494971.071.040.89
S-(p-Azidophenacyl)glutathioneME6496141.061.020.91
PheArgSerME6495781.061.040.91
Dehydroascorbicacid-1.285603ME6494401.051.030.91
HexacosanedioicacidME6495071.041.030.91
beta-AlanineME6494141.011.050.94
OXOLINICACIDME6495671.021.040.93
a-hydroxyisovalerate-3.5221016ME6493991.031.040.94
Pyruvicacid-1.2594115ME6496091.031.030.94
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha,25-dihydroxy-11alpha-phenylcholecalciferolME6493161.021.080.89
1-MethyluricacidME6493271.041.060.91
2-Hydroxyethinylestradiol-13.812337ME6493451.011.060.90
4,8-dimethyl-dodecanoicacidME6493681.021.060.91
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME6495051.021.060.92
D1-2-Hydroxymethylethisterone-13.439987ME6494361.081.030.80
D-GlucoseME6494421.061.050.80
GlycolaldehydeME6494961.131.030.83
PenicillaminedisulfideME6495711.091.010.88
17-alpha,21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronideME6493141.111.030.86
3-hydroxy-hexadecanoicacidME6493591.101.040.88
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholeME6493181.091.040.87
Isoacitretin-14.103292ME6495171.101.040.87
1,3-DimethyluricacidME6493081.041.080.87
2-Naphthaleneaceticacid,6-hydroxy-ME6493521.061.080.87
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha,25-dihydroxy-2beta-(5-hydroxypentoxyME6493201.091.050.84
2-methylene-4-oxo-pentanedioicacidME6493501.071.070.84
LauricacidME6495331.081.060.86
PGH2ME6495751.081.070.87
CitrullineME6494281.080.980.94
AdipamideME6493941.070.980.95
ArgCysPheME6494051.070.990.95
3E,5E-tridecadienoicacidME6493581.081.010.94
GlycoursodeoxycholicacidME6494981.061.010.94
N-AcetylarylamineME6495541.100.950.95
ArgPheArgME6494081.100.970.93
clavuloneIME6494291.100.960.94
ChlorpropamideME6494241.100.990.90
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3/1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole-13.7853775ME6493191.120.990.89
5-MethoxyindoleacetateME6493771.120.980.88
PseudouridineME6495941.130.950.92
4,7,10,13,16-docosapentaenoicacid-13.522585ME6493671.130.980.92
ProlineME6495901.110.970.92
DL-11-hydroxystearicacidME6494571.110.970.91
GalactonicacidME6494831.110.970.90
CreatineME6494311.180.940.96
IsorhamnetinME6495261.210.980.95
GluconicacidME6494871.190.940.82
3-MethylindoleME6493621.161.000.87
IndoxylsulfuricacidME6495131.180.960.87
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamineME6495571.180.950.86
B-ureidoisobutyricacid-4.3210588ME6494201.160.950.89
OSTHOLME6495621.180.940.91
m-SalicylicacidME6495491.030.711.26
2,3-DihydroxybenzoicacidME6493341.000.861.15
N4-AcetylsulfapyridineME6495521.040.821.13
N-Acetylgalactosamine4-sulphateME6495550.960.901.19
Pyrocatechol-4.419533ME6495990.950.851.25
DiglycolicacidME6494480.621.051.20
Benzenemethanol,2-(2-aminopropoxy)-3-methyl-ME6494120.660.961.28
O-DesmethylnaproxenME6495590.731.031.23
Isoacitretin-10.753435ME6495150.800.921.30
beta-Alanine-2.075091ME6494150.900.981.25
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoateME6495410.880.981.13
OxipurinolME6495650.850.931.19
PyruvicacidME6496050.840.971.20
4-PyridoxicacidME6493710.521.361.12
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacidME6493420.551.071.38
D1-2-Hydroxymethylethisterone-11.350735ME6494340.411.051.50

Factors:

F1Cognitive Status:AD
F2Cognitive Status:CN
F3Cognitive Status:MCI
Data matrix
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