Clustering data with hclust algorithm for Metabolite-phenotype link in X-linked Adrenoleukodystrophy (fibroblast cell culture) (Study ST000741)

Reversed phase NEGATIVE ION MODE (Analysis AN001155)
MetaboliteStructureF1F2F3F4
LEUCINE (CAS# 328-39-2); (M-H)-ME2050421.081.15NA0.55
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-ME204972NA0.63NA1.37
ISOCITRATE (CAS# 320-77-4); (M-H)-ME2050240.861.00NA1.15
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-ME2049961.001.06NA0.94
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-ME2049082.150.43NANA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME2049020.900.96NA1.13
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-ME2049071.210.82NA0.98
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-ME2049971.011.07NA0.93
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-ME2050110.740.56NA2.18
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME2049541.011.17NA0.82
GLUTAMATE (CAS# 56-86-0); (M-H)-ME2050061.260.99NA0.88
ASPARTATE (CAS# 56-84-8); (M-H)-ME2049331.170.98NA0.89
L-ARGININE (CAS# 74-79-3); (M-H)-ME2050311.060.88NANA
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]ME2050100.900.96NA1.13
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-ME2049800.561.08NA1.36
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-ME2049830.921.10NA0.98
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]ME204936NA1.26NA0.79
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O]ME2050011.050.89NA1.08
CORTISONE (CAS# 53-06-5); (M+HCOO)-ME2049531.300.90NA0.50
ELAIDIC ACID (CAS# 112-79-8); (M-H)-ME2049820.811.02NA1.18
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-ME2050551.490.45NA0.93
MANDELIC ACID (CAS# 611-71-2); (M-H)-ME2050540.17NANA1.83
MALTOSE (CAS# 69-79-4); (M+CL)-ME205052NA1.80NA0.20
MALEIC ACID (CAS# 110-16-7); (M-H)-ME2050511.261.17NA0.57
LYSINE (CAS# 56-87-1); (M-H)-ME2050471.060.96NA0.95
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-ME2050440.771.01NA1.26
KYNURENINE (CAS# 343-65-7); (M-H)-ME2050290.691.48NA0.65
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-ME2050161.090.93NA0.97
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME2049000.751.21NA1.03
CITRATE (CAS# 77-92-9); (M-H)-ME2049481.001.00NA1.00
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-ME2048860.701.17NA1.13
LUMICHROME (CAS# 1086-80-2); (M-H)-ME2050461.250.85NA0.88
L-ORNITHINE (CAS# 70-26-8); (M-H)-ME2050360.990.97NA1.08
EDTA (CAS# 60-00-4); (M-H)-ME2049810.582.54NA0.54
D-TAGATOSE (CAS# 87-81-0); (M+CL)-ME2049680.891.42NA0.74
D-ORNITHINE (CAS# 348-66-3); (M-H)-ME2049661.090.82NA1.01
CYTIDINE (CAS# 65-46-3); (M+HCOO)-ME2049561.340.87NA0.68
ADP-RIBOSE (CAS# ); (M-H)-ME2049261.041.01NA0.93
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-ME2049060.531.46NA1.01
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-ME2049200.991.24NA0.54
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-ME2050031.490.45NA0.93
D-PSICOSE (CAS# 551-68-8); (M+CL)-ME2049670.891.42NA0.74
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME2049440.811.02NA1.18
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-ME2048810.881.07NA1.04
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME2049311.070.95NA1.06
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME2049190.901.19NA0.92
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-ME2049601.50NANA0.50
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-ME2049730.821.11NA1.07
MALATE (CAS# 97-67-6); (M-H)-ME2050491.330.82NA0.85
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)-ME2050321.070.89NA1.05
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-ME2050180.940.78NA1.25
HEPTADECANOATE (CAS# 506-12-7); (M-H)-ME2050171.141.07NA0.84
GLYCINE (CAS# 56-40-6); (M-H)-ME2050121.450.78NA0.32
GDPMANNOSE (CAS# ); (M-H)-ME2049941.051.15NA0.80
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-ME2049701.150.86NA0.89
CORTISONE (CAS# 53-06-5); (M+CL)-ME2049521.910.73NA0.36
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME2049250.861.15NA0.99
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME2049220.971.03NA1.00
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-ME2049171.201.00NA0.80
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-ME2048850.741.00NA1.21
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)-ME2048901.121.19NA0.62
L-GULONATE (CAS# 6322-07-2); (M-H)-ME2050342.23NANA0.39
ISOLEUCINE (CAS# 73-32-5); (M-H)-ME2050251.101.13NA0.56
GLUTATHIONE (CAS# 27025-41-8); (M-H)-ME2050091.080.93NA0.99
D-LYXOSE (CAS# 1114-34-7); (M-H)-ME204965NA0.85NA1.15
ADPGLUCOSE (CAS# ); (M-H)-ME2049271.041.01NA0.95
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME2049111.041.23NA0.74
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME2049210.861.12NA0.90
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-ME2049160.880.98NA1.17
FUMARATE (CAS# 110-17-8); (M-H)-ME2049911.231.16NA0.64
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-ME2049931.001.00NA1.00
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-ME2049770.941.57NA0.59
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME2049761.600.48NA0.96
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME2049450.960.98NA1.06
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-ME2049382.080.50NA0.62
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-ME2048971.120.94NA0.98
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME2049320.520.75NA1.74
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME2048950.690.52NA1.53
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-ME2050270.881.10NA1.02
HYPOXANTHINE (CAS# 68-94-0); (M-H)-ME2050221.291.06NA0.84
GLUCOSE (CAS# 50-99-7); (M+CL)-ME2050020.891.42NA0.74
GLUCONIC ACID (CAS# 526-95-4); (M-H)-ME2049992.47NANA0.26
FRUCTOSE (CAS# 57-48-7); (M+CL)-ME2049890.891.42NA0.74
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-ME2049840.931.11NA0.96
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-ME2049611.50NANA0.50
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-ME2049421.570.85NA0.72
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME2049151.021.00NA0.98
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME2048870.891.18NA0.94
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME2048940.861.15NA0.99
MALATE (CAS# 97-67-6); (M-H)+[-H2O]ME2050481.360.94NA0.63
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)-ME2050151.041.01NA0.95
FOLIC ACID (CAS# 59-30-3); (M-H)-ME2049880.681.42NA0.90
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME2049301.001.00NA1.00
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME2049130.931.14NA1.06
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME2048841.240.89NA0.87
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-ME2048980.571.29NA0.91
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME2048920.431.16NA0.74
BEHENIC ACID (CAS# 112-85-6); (M-H)-ME2049350.861.01NA1.14
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-ME2050041.691.61NA0.35
DGMP (CAS# 902-04-5); (M-H)-ME2049791.071.01NA0.92
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-ME2049751.35NANA0.65
CYTIDINE (CAS# 65-46-3); (M+CL)-ME2049550.871.74NA0.53
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME204937NA1.80NA0.20
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME2049040.861.15NA0.99
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-ME2049291.490.45NA0.93
ADENOSINE (CAS# 58-61-7); (M+HCOO)-ME2049231.401.21NA0.59
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-ME2050281.001.07NA0.93
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-ME2049621.400.55NA0.95
L-HISTIDINE (CAS# 71-00-1); (M-H)-ME2050351.190.98NA0.83
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-ME2049691.360.64NANA
HIPPURATE (CAS# 495-69-2); (M-H)-ME2050190.811.36NA0.84
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME2049121.041.23NA0.74
CYTIDINE (CAS# 65-46-3); (M-H)-ME2049571.340.69NA0.97
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-ME2049241.070.91NA1.04
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-ME2049950.911.06NA1.03
LINOLEATE (CAS# 60-33-3); (M-H)-ME2050450.851.07NA1.08
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-ME2049901.001.27NA0.77
GUANOSINE (CAS# 118-00-3); (M-H)-ME2050141.031.27NA0.70
GLUTAMINE (CAS# 56-85-9); (M-H)-ME2050070.970.65NA1.81
CITRAMALATE (CAS# 2306-22-1); (M-H)-ME2049471.630.30NA1.03
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME2049280.900.96NA1.13
CIS-ACONITATE (CAS# 585-84-2); (M-H)-ME2049431.131.07NA0.76
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-ME2050380.981.05NA0.96
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-ME205043NA0.87NA1.13
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-ME2050210.941.12NA0.93
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME2049341.011.17NA0.82
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME2049460.971.03NA1.00
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-ME2049030.17NANA1.83
INOSINE (CAS# 58-63-9); (M-H)-ME2050231.011.02NA0.97
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)-ME2049870.871.12NA1.02
ITACONATE (CAS# 97-65-4); (M-H)-ME2050261.050.53NA1.22
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-ME2050390.970.98NA1.18
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME2049050.971.03NA1.00
HOMOSERINE (CAS# 672-15-1); (M-H)-ME2050201.181.05NA0.84
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-ME204896NA1.50NA0.50
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-ME2049141.011.10NA0.85
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME204941NA1.80NA0.20
L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)-ME2050301.301.16NA0.75
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-ME2049851.011.04NA0.94
MALTOSE (CAS# 69-79-4); (M+HCOO)-ME2050532.330.49NA0.62
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]ME2049980.851.01NA1.14
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-ME2049181.171.10NA0.72
LACTOSE (CAS# 63-42-3); (M+CL)-ME205040NA1.80NA0.20

Factors:

F1subject type:Healthy control
F2subject type:Mild disease
F3subject type:POOLED
F4subject type:Severe disease
Data matrix
  logo