Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002513)

HILIC NEGATIVE ION MODE (Analysis AN004139)

Metabolite	Structure	F1	F2	F3	F4	F5
Ribose 5-phosphate	ME606446	NA	1.44	0.78	1.43	0.48
2-Phosphoglyceric acid	ME606336	NA	0.93	0.79	1.65	0.81
Cystine	ME606372	NA	0.94	0.90	1.59	0.70
Phenyllactic acid	ME606342	NA	0.72	1.57	0.77	0.78
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	ME606312	NA	0.79	0.86	0.81	1.53
Taurocholic acid	ME606456	NA	1.09	0.88	0.49	1.46
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inositol)	ME606323	NA	1.08	0.91	0.60	1.34
PI 34:2	ME606432	NA	1.06	0.89	0.62	1.38
Hippuric acid	ME606395	NA	1.09	1.05	0.63	1.15
Hypoxanthine	ME606400	NA	0.85	0.98	0.93	1.23
N-Acetylphenylalanine	ME606413	NA	0.90	0.97	0.85	1.26
Pyroglutamic acid	ME606444	NA	0.80	1.07	0.78	1.30
PI 36:4	ME606433	NA	0.97	0.96	0.74	1.28
Cholesterol sulfate	ME606367	NA	0.94	1.00	0.75	1.25
Ergothioneine	ME606377	NA	0.95	1.04	0.74	1.21
N-Acetyl-tryptophan	ME606419	NA	0.84	0.98	0.76	1.38
N-Acetyltyrosine	ME606414	NA	0.92	1.03	0.68	1.30
2,6-Dihydroxybenzoic acid	ME606328	NA	0.90	1.00	0.74	1.31
Phenylpyruvic acid	ME606437	NA	0.88	1.00	0.72	1.35
1,2,4-Trihydroxybenzene	ME606364	NA	1.28	1.10	0.91	0.67
Lysine	ME606406	NA	1.39	1.12	0.89	0.56
Cysteine-S-sulfate	ME606447	NA	0.68	0.93	1.26	1.20
Dodecylbenzenesulfonic acid	ME606376	NA	0.82	0.83	1.22	1.20
Gluconic acid	ME606384	NA	0.77	1.23	1.29	0.72
Threonic acid	ME606459	NA	1.07	0.82	1.22	0.97
Indolelactic acid	ME606401	NA	0.84	1.21	0.87	1.01
Phthalic acid	ME606440	NA	0.90	1.17	0.77	1.08
Kynurenic acid	ME606404	NA	0.90	1.34	0.74	0.90
2-Hydroxyphenylacetic acid	ME606333	NA	0.92	1.24	0.84	0.92
Methionine sulfoxide	ME606409	NA	0.91	1.29	0.87	0.85
p-Hydroxyphenyllactic acid	ME606499	NA	0.87	1.30	0.86	0.89
gamma-Glutamylleucine	ME606475	NA	0.92	1.16	0.95	0.93
14-HDoHE	ME606326	NA	1.04	1.12	0.97	0.84
Ophthalmic acid	ME606427	NA	1.05	1.17	0.81	0.90
gamma-Glutamyltyrosine	ME606476	NA	1.02	1.19	0.88	0.86
N6-Acetyllysine	ME606424	NA	0.97	1.22	0.90	0.85
Aspartic acid	ME606362	NA	1.12	1.16	0.93	0.74
Isovalerylglycine	ME606421	NA	1.09	1.20	0.90	0.74
Pyruvic acid	ME606445	NA	1.02	1.20	1.00	0.74
N-Isobutyrylglycine	ME606420	NA	1.03	1.20	1.08	0.66
Tiglylglycine	ME606502	NA	1.05	1.19	1.06	0.68
Fructose 1-phosphate	ME606379	NA	1.17	1.04	0.87	0.89
Mannose 6-phosphate	ME606408	NA	1.22	1.09	0.78	0.85
Tridecanedioic acid	ME606313	NA	1.21	1.07	0.85	0.82
gamma-Glutamylglutamine	ME606474	NA	1.15	0.95	1.20	0.75
Glutamine	ME606388	NA	1.14	1.00	1.09	0.78
N-Acetylornithine	ME606423	NA	1.07	1.06	1.12	0.76
3-Hydroxybutyric acid	ME606337	NA	1.15	0.92	1.05	0.90
Carnosine	ME606366	NA	1.13	0.94	1.07	0.88
Histidine	ME606398	NA	1.20	1.02	1.01	0.76
4-Hydroxyquinoline-2-carbaldehyde	ME606347	NA	1.14	1.03	0.97	0.86
Citric acid	ME606368	NA	1.18	1.01	0.96	0.85
2-Benzothiazolesulfonic acid	ME606329	NA	0.79	1.17	1.06	0.96
Malic acid	ME606407	NA	0.72	1.17	1.04	1.05
10-Hydroxydecanoic acid	ME606338	NA	1.03	1.05	1.23	0.72
3-Hydroxydodecanoic acid	ME606339	NA	1.03	1.07	1.19	0.73
beta-Hydroxymyristic acid	ME606470	NA	1.00	1.08	1.18	0.76
1,3-Cyclohexanedicarboxylic acid	ME606314	NA	1.00	1.04	1.22	0.78
Phosphoethanolamine	ME606426	NA	0.97	1.04	1.25	0.78
Thr-Glu	ME606458	NA	0.94	1.06	1.29	0.75
Trehalose	ME606311	NA	0.97	1.07	1.25	0.75
Hexanoylglycine	ME606397	NA	0.98	1.14	1.21	0.68
4-Pyridoxic acid	ME606349	NA	0.92	1.17	1.14	0.76
Gentianose	ME606381	NA	0.97	1.12	1.16	0.76
Cysteine-glutathione disulfide	ME606371	NA	0.92	0.97	1.37	0.82
Adipic acid	ME606353	NA	0.91	1.02	1.27	0.85
4-Guanidinobutanoic acid	ME606344	NA	0.84	1.04	1.25	0.91
N-Acetyl-mannosamine	ME606417	NA	0.91	1.04	1.20	0.88
Suberic acid	ME606501	NA	0.88	1.05	1.20	0.89
2^-O-Methyluridine	ME606327	NA	0.87	0.95	1.25	0.99
Glutaric acid	ME606389	NA	0.91	0.92	1.25	0.99
Arabitol	ME606357	NA	0.91	0.98	1.20	0.96
N-Acetylalanine	ME606412	NA	0.89	1.02	1.19	0.94
Phosphoenolpyruvic acid	ME606438	NA	0.94	0.96	1.24	0.92
Deoxyuridine	ME606330	NA	0.97	0.95	1.18	0.95
Traumatic acid	ME606503	NA	0.98	0.93	1.21	0.94
Anserine	ME606356	NA	1.07	1.03	0.81	1.05
SM 18:1;O2/16:0	ME606434	NA	1.05	1.06	0.78	1.06
Azelaic acid	ME606363	NA	0.92	0.96	0.93	1.18
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	ME606365	NA	0.99	0.94	0.89	1.16
Creatinine	ME606370	NA	0.98	0.97	0.88	1.16
LPC 20:5	ME606488	NA	1.06	0.96	0.89	1.08
Asp-Leu	ME606361	NA	0.98	0.96	0.98	1.08
Thymidine	ME606461	NA	0.99	0.96	0.98	1.07
6alpha-Mannobiose	ME606350	NA	1.01	0.94	0.93	1.11
Asp-Asn	ME606359	NA	1.01	0.97	0.93	1.08
Sorbose	ME606450	NA	0.89	1.04	0.91	1.14
4-Hydroxybenzoic acid	ME606346	NA	0.91	1.08	0.84	1.12
Daidzein	ME606374	NA	0.91	1.04	0.84	1.16
Galactitol	ME606473	NA	0.94	1.11	0.89	1.01
Sulfoacetic acid	ME606452	NA	0.93	1.12	0.88	1.03
2-Hydroxyquinoline	ME606334	NA	0.93	1.07	0.89	1.07
Oxalic acid mono(N-methyl)amide	ME606430	NA	0.96	1.04	0.92	1.06
LPC 20:1	ME606486	NA	1.01	1.06	0.93	0.98
Serine	ME606449	NA	1.01	1.04	0.94	0.99
LPC 14:0	ME606477	NA	1.01	1.07	0.90	0.99
LPC 16:1	ME606479	NA	1.02	1.05	0.91	1.00
Alanine	ME606354	NA	0.97	1.07	0.96	0.97
LPC 18:0	ME606480	NA	0.98	1.06	0.97	0.97
1-Heptadecanoyl-sn-glycero-3-phosphocholine	ME606319	NA	0.99	1.07	0.98	0.93
N(2)-Acetyllysine	ME606425	NA	1.00	1.07	0.97	0.94
Coriolic acid	ME606325	NA	1.01	1.05	1.00	0.93
LPC 16:0	ME606478	NA	1.00	1.05	0.99	0.95
Tryptophan	ME606462	NA	1.04	1.10	0.86	0.95
12S-HETE	ME606324	NA	1.01	1.11	0.95	0.90
LPC P-16:0 or LPC O-16:1	ME606317	NA	1.03	1.11	0.91	0.90
LPE 18:3	ME606494	NA	0.97	1.12	0.95	0.93
Glu-Thr	ME606383	NA	1.00	1.12	0.91	0.93
LPE 20:4	ME606495	NA	1.00	1.09	0.92	0.96
LPC 20:4	ME606487	NA	1.10	1.00	0.89	0.99
PC 16:0/20:4	ME606320	NA	1.07	1.04	0.87	0.97
1,4-Cyclohexanedicarboxylic acid	ME606315	NA	1.10	1.02	0.98	0.90
4-Nitrophenol	ME606348	NA	1.06	0.98	1.00	0.97
Sebacic acid	ME606448	NA	1.08	0.98	1.01	0.93
Phosphoric acid	ME606439	NA	1.09	0.97	0.94	0.99
LPC 18:3	ME606483	NA	1.05	1.01	0.96	0.97
2-Mercaptobenzothiazole	ME606335	NA	1.04	0.99	0.94	1.01
PC 36:5	ME606431	NA	1.03	0.99	0.94	1.03
3-Methyl-4-nitrophenol	ME606341	NA	1.05	0.98	0.97	1.00
LPC 18:2	ME606482	NA	1.06	0.98	0.94	1.00
Cytidine	ME606373	NA	1.01	0.96	1.03	1.01
2-Hydroxyisobutyric acid	ME606332	NA	1.00	1.02	1.00	0.97
LPC 18:1	ME606481	NA	1.01	1.01	0.98	0.99
PC 16:0/18:2	ME606322	NA	1.02	1.00	0.99	0.99
Guanidoacetic acid	ME606394	NA	1.00	0.94	1.13	0.97
Glucosamine 6-phosphate	ME606385	NA	1.01	0.99	1.07	0.95
Pseudouridine	ME606443	NA	1.05	0.98	1.06	0.92
Erythronolactone	ME606378	NA	0.90	1.11	1.12	0.87
Glutathione	ME606390	NA	0.92	1.11	1.14	0.84
LPC 20:0	ME606485	NA	1.02	1.05	1.05	0.88
Threonine	ME606460	NA	1.03	1.07	1.05	0.85
PC 16:0/22:6	ME606321	NA	1.03	1.02	1.07	0.89
LPC 19:0	ME606484	NA	0.99	1.04	1.07	0.92
Taurine	ME606455	NA	1.00	1.04	1.06	0.91
9-Hydroperoxy-10E,12Z-octadecadienoic acid	ME606352	NA	1.00	1.05	1.05	0.90
Arginine	ME606358	NA	0.99	1.05	1.06	0.90
LPE 18:2	ME606493	NA	0.94	1.09	1.02	0.94
LPE 18:0	ME606491	NA	0.94	1.08	1.05	0.92
Uracil	ME606464	NA	0.93	1.09	1.05	0.92
rac-Glycerol 3-phosphoate	ME606500	NA	0.96	1.10	1.05	0.87
Octadecanedioic acid	ME606428	NA	0.99	1.09	1.02	0.89
erythro-Sphinganine-1-phosphate	ME606471	NA	0.96	1.09	1.03	0.91
1-(9Z-Octadecenyl)-sn-glycero-3-phosphoethanolamine	ME606318	NA	0.97	1.06	1.03	0.92
Undecanedioic acid	ME606463	NA	0.99	1.07	1.04	0.90
LPE 22:6	ME606497	NA	0.98	1.07	1.03	0.90
Sphingosine 1-phosphate	ME606472	NA	0.98	1.07	1.02	0.91
Glucuronic acid	ME606386	NA	0.99	1.05	1.10	0.87
N-Methyl-glutamic acid	ME606422	NA	1.00	1.07	1.09	0.85
Glyceraldehyde	ME606393	NA	0.99	1.02	1.11	0.90
Uridine	ME606465	NA	0.95	1.04	1.15	0.88
Glu-Lys	ME606382	NA	0.97	1.06	1.11	0.88
LPE 16:0	ME606490	NA	0.96	1.05	1.13	0.89
2-Hydroxyglutaric acid	ME606331	NA	0.92	1.08	1.09	0.91
Succinic acid	ME606451	NA	0.93	1.06	1.11	0.91
Dimethylarginine	ME606411	NA	0.96	1.00	1.14	0.94
Isoleucine	ME606403	NA	0.94	1.00	1.14	0.94
Phenylalanine	ME606436	NA	0.96	1.03	1.11	0.92
Leucine	ME606405	NA	0.93	1.03	1.12	0.94
Pimelic acid	ME606441	NA	0.95	1.01	1.11	0.95
Tetradecanedioic acid	ME606457	NA	1.08	0.91	1.20	0.87
LPC 22:6	ME606489	NA	1.07	0.98	1.12	0.86
3-Hydroxyoctanoic acid	ME606340	NA	1.03	1.03	1.17	0.80
Gly-Asp	ME606391	NA	1.03	1.02	1.15	0.84
Xanthosine	ME606469	NA	1.05	1.00	1.15	0.83
trans-4-Hydroxyproline	ME606453	NA	0.99	0.98	1.18	0.89
9-Fluorenone	ME606351	NA	1.00	1.03	1.15	0.84
D-Tagatose	ME606454	NA	1.00	1.01	1.14	0.88
Glucosan	ME606316	NA	0.99	1.01	1.15	0.87
N-Acetylhistidine	ME606415	NA	0.83	1.07	1.00	1.08
N-Acetylleucine	ME606416	NA	0.84	1.05	1.01	1.09
N-Acetylmethionine	ME606418	NA	0.88	1.04	1.09	1.00
Gly-Glu	ME606392	NA	0.86	1.05	1.13	0.98
Inosine	ME606402	NA	0.87	1.02	1.15	0.99
Methylsuccinic acid	ME606410	NA	0.91	1.03	1.06	1.00
4-Acetamidobutanoic acid	ME606343	NA	0.91	1.01	1.06	1.03
Urocanic acid	ME606466	NA	0.93	1.00	1.06	1.02
Asp-Asp	ME606360	NA	0.91	1.04	1.09	0.96
Hexadecanedioic acid	ME606396	NA	0.92	1.04	1.09	0.95
Glutamic acid	ME606387	NA	0.93	1.04	1.06	0.97
Citrulline	ME606369	NA	0.95	1.01	1.06	0.98
Hypotaurine	ME606399	NA	0.94	1.02	1.09	0.98
Myo-inositol	ME606498	NA	0.93	1.02	1.08	0.99
Valine	ME606467	NA	0.93	1.02	1.08	0.99
Propionic acid	ME606442	NA	0.91	0.98	1.14	1.00
Allantoin	ME606355	NA	0.95	0.98	1.09	1.00
Pantothenic acid	ME606435	NA	0.96	0.94	1.10	1.03
LPE 18:1	ME606492	NA	0.92	1.07	1.01	0.99
Orotic acid	ME606429	NA	0.92	1.06	0.97	1.04
LPE 20:5	ME606496	NA	0.95	1.00	1.03	1.02
Dodecanedioic acid	ME606375	NA	0.96	1.00	1.00	1.04
Xanthine	ME606468	NA	0.96	0.98	1.01	1.06
4-Hydroxybenzaldehyde	ME606345	NA	0.92	0.96	1.03	1.11
Fumaric acid	ME606380	NA	0.89	1.01	1.01	1.10

Factors:

F1	SampleType:- \| Group:-
F2	SampleType:Serum \| Group:El15644
F3	SampleType:Serum \| Group:El2243
F4	SampleType:Serum \| Group:ElAB12n2
F5	SampleType:Serum \| Group:GF

Data matrix