Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002348)

(Analysis AN003833)

Metabolite	Structure	F1	F2	F3
L-Dihydroorotic acid	ME558753	2.60	0.08	0.01
Xanthine	ME558781	2.63	0.05	0.00
L-Asparagine	ME558734	2.55	0.14	0.02
L-Lysine	ME558771	2.51	0.23	0.00
L-Tyrosine	ME558775	2.52	0.21	0.00
Ureidosuccinic acid	ME558770	2.25	0.61	0.01
N-Acetylputrescine	ME558750	2.28	0.57	0.00
Ornithine2	ME558759	2.27	0.58	0.01
3-Sulfinoalanine	ME558738	2.29	0.47	0.07
L-Arginine	ME558758	2.30	0.37	0.12
Adenosine	ME558801	2.12	0.54	0.19
Homocysteine	ME558733	2.11	0.70	0.09
Orotic acid	ME558747	2.16	0.75	0.01
Beta-Alanine2	ME558701	1.94	0.99	0.06
D-Alpha-aminobutyric acid	ME558665	1.99	0.89	0.09
N-Acetyl-L-aspartic acid	ME558732	2.04	0.92	0.02
2-Deoxyglucose	ME558746	1.93	0.77	0.22
Psicose_1	ME558762	1.84	0.86	0.25
Phosphoenolpyruvic acid	ME558725	1.75	0.89	0.33
D-Tagatose	ME558761	1.80	0.90	0.27
2-Hydroxybutyric acid	ME558659	1.78	0.96	0.25
L-Homoserine	ME558702	1.78	0.93	0.27
Urea	ME558671	1.76	0.93	0.29
N-Acetylglutamine	ME558769	0.08	0.85	2.02
D-Galactose2	ME558772	0.10	0.94	1.94
D-Glucose2	ME558773	0.10	0.93	1.95
D-Galactose	ME558767	0.08	0.92	1.97
D-Glucose	ME558768	0.09	0.92	1.96
5-Aminopentanoic acid	ME558729	0.30	0.89	1.77
D-Maltose	ME558805	0.32	0.95	1.71
Mannitol	ME558776	0.32	0.95	1.72
Trehalose	ME558804	0.32	0.95	1.72
Glutathione-nTMS	ME558791	0.45	0.81	1.68
N-Acetyl-D-glucosamine	ME558785	0.55	0.80	1.59
3-Hydroxybutyric acid	ME558662	1.04	1.05	0.92
(S)-3-Hydroxyisobutyric acid	ME558663	1.05	1.04	0.92
Alpha-Hydroxyisobutyric acid	ME558650	1.03	1.07	0.93
Caproic acid	ME558652	1.01	1.08	0.94
Oxalic acid	ME558657	1.01	1.03	0.97
Acetoacetic acid	ME558660	1.01	1.05	0.96
Pyruvic acid2	ME558661	1.01	1.06	0.95
ISTD_Leucine	ME558681	1.01	0.98	1.00
Phosphoric acid	ME558682	1.01	0.99	1.00
Palmitic acid	ME558783	1.06	0.97	0.96
ITSD_Valine	ME558670	1.03	1.00	0.96
Glycine	ME558656	1.04	0.98	0.97
Pyrocatechol	ME558691	1.04	0.99	0.97
Acetoacetic acid2	ME558673	1.05	0.99	0.95
L-Lactic acid	ME558649	1.05	1.01	0.94
ITSD_Sorbitol	ME558778	1.08	0.94	0.96
Beta-Glycerophosphoric acid	ME558742	1.02	0.93	1.02
Myristic acid	ME558760	1.05	0.93	1.00
Niacinamide	ME558706	1.05	0.94	0.99
Gamma-Aminobutyric acid	ME558716	0.86	1.01	1.13
Ketoleucine	ME558668	0.90	0.96	1.13
4-Hydroxyproline	ME558713	0.92	0.98	1.10
Glutamate, gamma-methyl ester	ME558710	0.94	0.96	1.09
Pyroglutamic acid	ME558714	0.98	1.00	1.02
Gluconolactone	ME558765	0.98	0.97	1.04
Norvaline	ME558672	0.98	0.98	1.03
Erythritol	ME558708	0.93	1.00	1.06
Glyceric acid	ME558690	0.94	1.00	1.06
Glycine2	ME558688	0.96	1.00	1.04
Glycerol	ME558677	0.96	0.98	1.05
Pelargonic acid	ME558695	0.96	0.98	1.06
D-Arabitol	ME558743	0.98	0.89	1.09
Glycerol 3-phosphate	ME558749	0.97	0.93	1.07
Linoleic acid	ME558792	0.87	1.10	1.06
Stigmasterol	ME558799	0.91	1.05	1.06
Capric acid	ME558703	0.97	1.13	0.95
Dihydroxyacetone	ME558674	0.94	1.09	1.01
Hydroxylamine	ME558658	0.95	1.07	1.01
Oleic acid	ME558793	0.95	1.07	1.00
3-Hydroxyisovaleric acid	ME558667	1.24	0.95	0.80
Cytosine	ME558715	1.23	0.89	0.84
D-Xylulose	ME558737	1.20	0.91	0.86
Sucrose	ME558802	1.21	0.91	0.86
Glycolic acid	ME558651	1.09	1.07	0.86
Stearic acid	ME558795	1.12	1.02	0.87
L-Leucine	ME558680	1.13	1.02	0.86
MG(18:0e/0:0/0:0)	ME558803	1.13	1.01	0.86
L-Proline	ME558686	1.15	1.01	0.84
Suberic acid	ME558739	1.16	1.02	0.83
Labelled compound_glutamic acid	ME558727	1.11	0.98	0.90
Pimelic acid	ME558723	1.11	1.00	0.89
Oxoglutaric acid	ME558720	1.10	0.96	0.92
L-Isoleucine	ME558683	1.08	0.99	0.93
Putrescine	ME558748	1.09	0.99	0.92
D-Ribulose	ME558735	1.16	0.94	0.88
Levoglucosan	ME558740	1.16	0.92	0.89
Octadecanol	ME558790	1.16	0.92	0.90
Azelaic acid	ME558752	1.15	0.98	0.87
L-Serine	ME558696	1.14	0.96	0.89
Glucose 6-phosphate	ME558797	1.24	0.72	0.95
cis-Aconitic acid	ME558745	1.25	0.76	0.91
O-Phosphoethanolamine	ME558754	1.26	0.78	0.89
Palmitoleic acid	ME558780	1.05	0.82	1.07
1,2,3-Trihydroxybenzene	ME558717	1.02	0.89	1.05
Rhamnose	ME558744	1.06	0.87	1.03
Elaidic acid	ME558794	1.10	0.80	1.03
D-Ribose 5-phosphate	ME558786	1.12	0.80	1.01
Nicotinic acid	ME558684	1.12	0.80	1.01
Dodecanoic acid	ME558731	1.10	0.89	0.98
D-Ribose	ME558736	1.13	0.86	0.96
Heptadecanoic acid	ME558789	1.14	0.85	0.96
Dimethylglycine	ME558646	0.94	1.48	0.74
Methylsuccinic acid	ME558689	1.08	1.28	0.73
Glutaric acid	ME558698	1.06	1.19	0.82
Benzoic acid	ME558675	0.99	1.17	0.90
Caprylic acid	ME558676	1.01	1.19	0.86
D-Glyceraldehyde 3-phosphate	ME558741	0.81	0.67	1.42
Triethanolamine	ME558728	0.80	0.51	1.53
D-Sedoheptulose 7-phosphate	ME558800	0.90	0.83	1.22
D-Ribose 5-phosphate2	ME558788	0.95	0.85	1.15
Hydroquinone	ME558699	0.92	0.91	1.14
L-Aspartic acid	ME558711	0.80	0.91	1.25
Thymine	ME558700	0.83	0.94	1.21
2-Isopropylmalic acid	ME558721	0.74	1.03	1.23
Gluconic acid	ME558782	0.77	0.96	1.26
L-2-Hydroxyglutaric acid	ME558719	0.72	0.99	1.28
Ethanolamine2	ME558679	0.49	1.06	1.47
N-Acetylmannosamine	ME558784	0.49	0.98	1.52
Glucose 6-phosphate2	ME558798	0.63	0.87	1.46
L-Sorbose	ME558766	0.57	0.92	1.49
D-Maltose2	ME558809	0.68	0.93	1.36
Lactitol	ME558808	0.68	0.93	1.37
Ethanolamine	ME558647	0.70	0.93	1.35
Pyruvic acid	ME558648	0.69	0.93	1.35
Alpha-ketoisovaleric acid	ME558655	0.59	1.06	1.37
L-Cysteine	ME558718	0.63	1.00	1.37
Tryptamine	ME558796	1.19	1.44	0.52
myo-Inositol	ME558787	1.45	0.86	0.65
2-Aminoheptanedioic acid	ME558756	1.40	0.90	0.66
Sorbitol	ME558777	1.39	0.88	0.69
Pantothenic acid	ME558779	1.43	0.93	0.61
Uracil	ME558693	1.43	0.94	0.61
Citramalic acid	ME558704	1.38	1.01	0.61
L-Valine	ME558669	1.40	1.00	0.61
Phenyllactic acid	ME558724	1.34	0.93	0.70
Malic acid	ME558705	1.32	0.96	0.71
Succinic acid	ME558687	1.31	0.97	0.71
L-Phenylalanine	ME558730	1.29	0.95	0.75
1-Hexadecanol	ME558774	1.32	0.89	0.75
2-Hydroxy-3-methylbutyric acid	ME558664	1.32	0.92	0.73
Adipic acid	ME558707	1.25	1.07	0.71
Sebacic acid	ME558764	1.31	1.05	0.65
Ornithine	ME558726	1.52	0.79	0.62
Phenylpyruvic acid	ME558722	1.47	1.06	0.49
L-Methionine	ME558712	1.65	0.92	0.40
Maleic acid	ME558685	1.59	0.99	0.42
2-Ketobutyric acid	ME558653	1.57	0.96	0.46
L-Threonine	ME558697	1.60	0.95	0.43
N-Acetylserine	ME558709	1.60	0.93	0.44
Psicose_2	ME558763	1.59	0.88	0.49
3-Phosphoglyceric acid	ME558755	1.58	0.86	0.51
Citric acid	ME558757	1.57	0.86	0.53
Labelled compound_Alanine	ME558654	1.49	0.97	0.52
2-Phosphoglyceric acid	ME558751	1.51	0.95	0.52
Itaconic acid	ME558694	1.50	0.96	0.53
Beta-Alanine	ME558666	1.53	0.96	0.50
Fumaric acid	ME558692	1.54	0.94	0.51

Factors:

F1	Factor:Glc
F2	Factor:PBQC
F3	Factor:SQ

Data matrix