Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002535)

(Analysis AN004170)

Metabolite	Structure	F1	F2	F3	F4
Taurodeoxycholic acid	ME614395	0.40	0.13	0.58	4.38
Tauroursodeoxycholic acid	ME614396	0.40	0.13	0.58	4.38
myo-Inositol	ME614358	0.61	0.11	3.46	0.09
Phthalic acid	ME614380	0.29	3.10	0.24	0.18
Allocholic acid	ME614268	0.94	0.17	2.57	0.45
Cholic acid	ME614281	0.87	0.19	2.61	0.45
(R)-lipoic acid	ME614243	1.25	0.39	1.72	0.47
D-Xylitol	ME614307	1.09	0.63	1.83	0.53
L-Arabitol	ME614333	1.08	0.63	1.85	0.53
Ribitol	ME614387	1.08	0.63	1.85	0.53
5-Aminopentanoic acid	ME614261	0.81	0.51	2.30	0.46
Alpha-Linolenic acid	ME614269	0.92	0.61	2.15	0.40
D-Lactic acid	ME614300	0.65	0.67	2.23	0.50
Dihydroxyacetone	ME614299	0.66	0.66	2.20	0.53
Glyceraldehyde	ME614315	0.66	0.67	2.18	0.53
N-Acetylneuraminic acid	ME614362	0.61	0.83	2.23	0.32
D-Lysine	ME614301	0.68	0.84	2.05	0.43
L-Lysine	ME614343	0.70	0.79	2.10	0.44
p-Hydroxyphenylacetic acid	ME614381	0.76	0.43	2.02	0.83
Sulfolithocholic acid	ME614392	0.53	0.49	2.22	1.00
Sorbitol	ME614389	1.09	0.18	0.89	1.63
3-Methyladipic acid	ME614255	1.06	0.45	1.15	1.31
Creatinine	ME614286	0.84	0.52	1.38	1.27
9-Methyluric acid	ME614264	0.58	0.39	1.30	1.88
D-Glucuronic acid	ME614297	0.72	0.48	1.19	1.56
Galacturonic acid	ME614313	0.65	0.48	1.21	1.61
7a-Hydroxy-3-oxo-5b-cholanoic acid	ME614262	0.02	0.62	1.95	0.98
Deoxycholic acid glycine conjugate	ME614293	0.81	0.11	1.85	1.28
Hesperidin	ME614324	0.35	0.00	2.01	1.39
N-Acetylhistamine	ME614361	0.41	0.21	2.01	1.39
Behenic acid	ME614272	1.15	0.76	0.75	1.35
Heneicosanoic acid	ME614322	1.23	0.92	0.68	1.15
PC(14:0/14:0)	ME614375	1.17	0.88	0.74	1.23
Pyridoxine	ME614384	1.23	1.30	0.72	0.78
Stearic acid	ME614390	1.23	1.07	0.61	1.09
o-Cresol	ME614366	0.96	1.23	0.69	1.09
Arachidic acid	ME614270	1.12	1.19	0.67	1.02
Phytanic acid	ME614382	1.12	1.18	0.67	1.02
Dodecanoic acid	ME614302	1.07	1.28	0.56	1.07
Heptadecanoic acid	ME614323	1.11	1.15	0.55	1.16
Pentadecanoic acid	ME614378	1.09	1.19	0.60	1.11
Taurocholic acid	ME614394	0.88	0.60	0.89	1.60
Azelaic acid	ME614271	0.79	0.99	0.62	1.54
L-Asparagine	ME614335	0.74	0.81	0.89	1.54
3-Oxocholic acid	ME614258	0.88	0.81	0.73	1.54
Nutriacholic acid	ME614365	0.87	0.81	0.74	1.54
Cortisone	ME614285	0.82	1.14	0.55	1.42
3b-Hydroxy-5-cholenoic acid	ME614254	0.88	1.20	0.46	1.40
Pimelic acid	ME614383	0.91	1.18	0.48	1.37
Octadecanedioic acid	ME614367	0.78	1.06	0.97	1.15
3-Aminoisobutanoic acid	ME614253	0.78	1.07	0.79	1.31
Erucic acid	ME614309	0.92	0.97	0.80	1.29
3-Phosphoglyceric acid	ME614259	0.57	0.69	1.31	1.36
Uric acid	ME614399	0.67	0.87	1.20	1.30
1,5-Anhydrosorbitol	ME614245	0.70	0.86	1.27	1.14
Pelargonic acid	ME614377	0.58	0.93	1.26	1.18
3-Methylxanthine	ME614257	0.93	0.49	1.68	0.94
Glucose 6-phosphate	ME614314	0.81	0.84	1.58	0.89
Methylmalonic acid	ME614357	0.74	0.75	1.51	1.00
Succinic acid	ME614391	0.74	0.75	1.51	0.99
1,3-Dimethyluric acid	ME614244	0.67	0.70	1.53	1.16
3,7-Dimethyluric acid	ME614252	0.51	0.63	1.61	1.14
Malonic acid	ME614354	0.68	1.42	1.35	0.52
Serotonin	ME614388	0.82	1.43	1.37	0.39
Itaconic acid	ME614330	0.72	1.09	1.55	0.75
2-Ketobutyric acid	ME614249	0.72	1.21	1.43	0.64
D-2-Hydroxyglutaric acid	ME614289	0.71	1.22	1.40	0.65
Indoleacetic acid	ME614327	0.62	1.09	1.74	0.60
Nicotinic acid	ME614363	0.71	0.96	1.74	0.54
Taurine	ME614393	0.75	1.00	1.82	0.48
2,6-Dihydroxybenzoic acid	ME614247	0.75	0.84	1.70	0.71
Linoleic acid	ME614339	1.00	0.92	1.49	0.63
Guanosine	ME614321	0.96	0.91	1.62	0.55
Inosine	ME614328	0.88	0.85	1.66	0.61
Uridine	ME614400	0.89	0.96	1.61	0.58
2-Pyrocatechuic acid	ME614251	0.85	0.95	1.64	0.59
D-Alpha-aminobutyric acid	ME614291	0.85	0.95	1.65	0.59
PE(14:0/14:0)	ME614376	1.21	0.73	1.53	0.63
2-Hydroxyethanesulfonate	ME614248	1.00	0.87	1.25	0.86
Hyodeoxycholic acid	ME614325	0.99	0.78	1.48	0.79
Deoxycholic acid	ME614294	0.98	0.77	1.51	0.79
Ursodeoxycholic acid	ME614402	0.98	0.77	1.51	0.79
D-Fructose	ME614296	0.89	0.89	1.46	0.77
Adenine	ME614265	0.96	0.93	1.34	0.79
D-Ribose	ME614304	0.99	0.85	1.39	0.80
L-Glutamic acid	ME614338	0.73	1.42	1.12	0.67
D-Glutamic acid	ME614298	0.78	1.39	1.08	0.71
Pyruvic acid	ME614386	0.78	1.40	1.08	0.70
L-Malic acid	ME614344	0.78	1.40	1.08	0.70
Malic acid	ME614353	0.78	1.40	1.08	0.70
Deoxyuridine	ME614295	0.91	1.39	1.03	0.68
Fumaric acid	ME614311	0.82	1.47	0.99	0.69
Butyrate	ME614228	0.96	1.25	1.02	0.77
Isobutyrate	ME614226	0.96	1.24	1.02	0.77
Furosemide	ME614312	0.90	1.22	1.10	0.76
L-Isoleucine	ME614340	0.88	1.29	1.06	0.76
Beta-Leucine	ME614276	0.87	1.29	1.07	0.76
L-Alloisoleucine	ME614332	0.87	1.29	1.07	0.76
Hypoxanthine	ME614326	0.87	1.10	1.23	0.67
Betaine	ME614275	0.82	1.19	1.25	0.74
Butyric acid	ME614277	0.79	1.15	1.29	0.75
3-Methylhistidine	ME614256	0.86	1.16	1.18	0.80
L-Valine	ME614352	0.90	1.20	1.07	0.83
L-Leucine	ME614342	0.89	1.16	1.12	0.82
L-Norleucine	ME614346	0.89	1.17	1.12	0.82
Ureidopropionic acid	ME614398	0.95	1.04	1.15	0.83
Acetate	ME614222	0.90	1.12	1.21	0.77
Alanylglycine	ME614267	0.92	1.07	1.21	0.81
Guanine	ME614320	0.93	1.08	1.34	0.60
L-Tryptophan	ME614350	0.97	1.10	1.31	0.64
Propionate	ME614224	0.96	1.11	1.32	0.63
L-Arginine	ME614334	1.01	1.07	1.24	0.71
L-Tyrosine	ME614351	0.99	1.15	1.20	0.68
Mannitol	ME614355	1.02	1.11	1.18	0.71
4-Hydroxycinnamic acid	ME614260	1.08	1.20	1.17	0.60
L-Phenylalanine	ME614347	0.91	1.27	1.16	0.66
L-Proline	ME614348	0.96	1.30	1.15	0.59
D-Alanine	ME614290	0.71	1.49	0.88	0.85
N-Acetylglutamic acid	ME614360	0.54	1.55	0.84	0.95
7-Methylguanine	ME614263	1.08	1.15	0.98	0.80
Capric acid	ME614278	1.03	1.24	0.86	0.87
Glycyrrhetinic acid	ME614319	0.95	1.24	0.91	0.88
Pyrrolidonecarboxylic acid	ME614385	0.91	1.53	0.84	0.69
Beta-Alanine	ME614273	0.85	1.44	0.90	0.79
L-Alanine	ME614331	0.86	1.47	0.90	0.75
L-Aspartic acid	ME614336	0.95	1.42	0.83	0.77
Valerate	ME614234	0.91	1.39	0.90	0.78
Lithocholic acid	ME614341	0.84	1.37	0.86	0.90
L-Serine	ME614349	0.82	1.28	0.91	0.96
Phosphoric acid	ME614379	0.83	1.27	0.88	0.97
Caproic acid	ME614279	1.01	1.33	0.70	0.94
D-Aspartic acid	ME614292	0.89	1.45	0.77	0.86
2-Methylbutyrate	ME614230	0.92	1.36	0.77	0.92
Isovalerate(3-MBA)	ME614232	0.96	1.39	0.74	0.89
12-Hydroxydodecanoic acid	ME614246	1.20	0.65	1.26	0.92
Glycerol	ME614317	1.33	0.82	1.04	0.86
2-Methylcitric acid	ME614250	0.80	0.93	1.21	1.04
Citric acid	ME614283	0.79	0.98	1.22	0.99
D-threo-Isocitric acid	ME614306	0.79	0.98	1.22	1.00
Isocitric acid	ME614329	0.79	0.98	1.22	1.00
Cytidine	ME614288	0.88	1.03	1.13	0.94
ISTD_13C6-Sorbitol	ME614242	0.91	1.00	1.19	0.90
Oxalic acid	ME614372	0.71	1.11	1.27	0.87
cis-Aconitic acid	ME614282	0.69	0.98	1.39	0.92
Oxalacetic acid	ME614371	0.70	0.97	1.38	0.93
Adenosine	ME614266	0.99	0.79	1.07	1.16
Myristic acid	ME614359	1.08	1.06	0.87	0.99
Palmitic acid	ME614374	1.14	1.03	0.81	1.03
ACETATE - 6C13NPH (ISTD)	ME614223	0.97	1.05	1.03	0.95
Estradiol	ME614310	1.03	1.07	1.01	0.88
L-Methionine	ME614345	0.98	1.09	1.08	0.86
Isocaproate (4-MVA) ISTD	ME614221	1.00	0.95	1.11	0.95
ISTD_13C5,15N1-Valine	ME614240	0.98	0.93	1.02	1.06
ISTD_13C6-Leucine	ME614241	0.99	0.91	1.07	1.03
Nonadecanoic acid	ME614364	1.15	0.94	1.02	0.92
D-Ribulose 5-phosphate	ME614305	1.09	0.89	1.01	1.02
2-Methylbutyrate- 6C13 NPH (ISTD)	ME614231	1.07	1.01	0.97	0.96
Vaccenic acid	ME614403	1.06	1.03	0.97	0.95
Elaidic acid	ME614308	1.06	1.03	0.97	0.95
Oleic acid	ME614368	1.06	1.03	0.97	0.95
D-Ribose 5-phosphate	ME614303	1.06	0.94	1.00	1.01
Caproate_6C13 NPH (ISTD)	ME614237	1.05	0.98	0.99	0.99
Heptanoic_6C13 NPH (ISTD)	ME614239	1.04	0.99	0.99	0.99
Valerate-6C13 NPH (ISTD)	ME614235	1.04	0.99	0.98	0.99
Propionate 6C13NPH (ISTD)	ME614225	1.05	0.99	1.00	0.97
Butyrate 6C13 NPH (ISTD)	ME614229	1.06	0.98	1.00	0.97
Isobutyrate-6C13 NPH (ISTD)	ME614227	1.06	0.98	0.99	0.97
Cytidine monophosphate	ME614287	1.07	0.97	0.99	0.98
Isovalerate(3-MBA)-6C13 NPH (ISTD)	ME614233	1.08	0.97	1.00	0.97
L-Cystine	ME614337	0.53	1.67	1.19	0.79
Xanthine	ME614404	1.10	1.46	1.02	0.44
Orotic acid	ME614370	0.86	1.58	1.23	0.32
Citrulline	ME614284	0.92	1.62	1.08	0.41
Ornithine	ME614369	0.94	1.51	1.13	0.41
Caproate	ME614236	0.96	1.55	0.48	0.96
Heptanoic	ME614238	0.98	1.86	0.34	0.76
Urocanic acid	ME614401	0.77	2.11	0.44	0.65
Methionine sulfoxide	ME614356	0.63	1.88	0.85	0.57
Caprylic acid	ME614280	0.98	1.63	0.71	0.66
Oxoglutaric acid	ME614373	0.94	1.79	0.74	0.56
Undecanoic acid	ME614397	0.91	1.84	0.57	0.63
Glycine	ME614318	0.03	2.24	0.76	0.46
Beta-Glycerophosphoric acid	ME614274	0.52	2.45	0.54	0.81
Glycerol 3-phosphate	ME614316	0.54	2.45	0.51	0.81

Factors:

F1	CI_group:-
F2	CI_group:2
F3	CI_group:3
F4	CI_group:4

Data matrix