Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003481)

(Analysis AN005716)

Metabolite	Structure	F1	F2	F3
Fructose 6-phosphate	ME907803	3.02	0.07	0.25
Glucose 6-phosphate	ME907807	2.73	0.05	0.21
2-Methylbutyroylcarnitine	ME907820	0.47	1.17	1.27
Decanoylcarnitine	ME907823	0.52	1.21	1.27
Glucaric acid	ME907804	0.62	1.44	0.94
4-Hydroxyproline	ME907719	0.78	1.19	1.06
Glycyleucine	ME907923	0.67	1.27	1.07
TDCA	ME907795	0.71	1.26	1.03
Hippuric acid	ME907766	1.21	1.54	0.25
Malonic acid	ME907913	1.14	1.48	0.38
3-Hydroxylisovalerylcarnitine	ME907821	0.89	1.23	0.68
Tryptophan	ME907758	0.90	1.35	0.76
Valine	ME907760	0.88	1.30	0.81
NorCA	ME907790	0.96	1.27	0.77
Tyrosine	ME907759	0.94	1.24	0.81
Leucine	ME907738	0.93	1.27	0.80
Mandelic acid	ME907761	0.92	1.28	0.80
Isocitric acid	ME907908	0.89	1.41	0.70
Phenyllactic acid	ME907933	0.85	1.50	0.65
3-Hydroxybutyric acid	ME907895	0.84	1.48	0.68
Glycolic acid	ME907905	0.86	1.45	0.69
TCA	ME907793	0.80	1.33	0.87
TUDCA	ME907797	0.81	1.37	0.82
Valerylcarnitine	ME907837	0.82	1.34	0.81
Isovalerylcarnitine	ME907826	0.80	1.44	0.76
L-Carnitine	ME907827	0.76	1.44	0.80
TaMCA/TbMCA	ME907792	0.74	1.43	0.83
Acetylglycine	ME907721	1.12	1.16	0.47
Butyric acid	ME907941	1.09	1.32	0.59
Citramalic acid	ME907858	1.13	1.37	0.51
Aconitic acid	ME907897	1.01	1.42	0.57
Picolinic acid	ME907938	1.01	1.34	0.65
Threonic acid	ME907817	1.00	1.35	0.65
Lactic acid	ME907910	0.57	1.68	0.75
4-Hydroxybenzoic acid	ME907765	0.93	1.61	0.45
N-Acetyltryptophan	ME907746	0.73	1.64	0.63
N-Acetytyrosine	ME907747	0.80	1.61	0.59
Vanillic acid	ME907770	0.85	1.62	0.53
Acetylcarnitine	ME907822	0.44	1.60	0.03
Homovanillic acid	ME907926	0.77	1.90	0.34
Malonylcarnitine	ME907829	0.80	1.77	0.43
Itaconic acid	ME907867	0.76	1.84	0.64
Melibiose	ME907812	0.72	1.87	0.55
Creatine	ME907730	0.68	1.89	0.43
Asparagine	ME907726	0.65	1.85	0.50
Hydroxyphenyllactic acid	ME907932	0.66	1.91	0.50
Indolelactic acid	ME907890	0.68	2.15	0.17
Propionylcarnitine	ME907834	0.54	1.95	0.32
2-Hydroxybutyric acid	ME907893	0.62	2.03	0.35
Arginine	ME907725	0.63	2.03	0.35
Glucose	ME907806	1.26	1.01	0.73
2,2-Dimethylsuccinic acid	ME907843	1.24	1.07	0.69
Citric acid	ME907901	1.26	1.08	0.66
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid	ME907930	0.96	1.19	0.73
Heptanoic acid	ME907866	1.03	1.18	0.79
Hydroxypropionic acid	ME907907	1.02	1.20	0.78
Methylglutaric acid	ME907869	1.16	1.09	0.76
Caproic acid	ME907942	1.09	1.16	0.74
Glutaric acid	ME907904	1.11	1.12	0.77
Lysine	ME907739	1.08	1.12	0.81
2,3-Diaminopropionic acid	ME907718	1.13	0.89	0.98
Alanine	ME907722	1.09	0.90	1.01
Glycine	ME907735	1.08	0.93	0.99
Proline	ME907752	1.08	0.92	1.00
Glutamine	ME907734	1.12	1.01	0.87
Methylsuccinic acid	ME907870	1.12	0.99	0.89
Sebacic acid	ME907880	1.14	0.93	0.93
Stearylcarnitine	ME907835	1.13	0.93	0.94
Acetic acid	ME907940	1.15	0.95	0.90
Histidine	ME907736	1.16	0.95	0.88
Adipic acid	ME907850	1.17	0.94	0.89
Glycylproline	ME907924	1.17	0.95	0.89
gamma-Linolenic acid	ME907865	0.86	1.09	1.05
Methionine	ME907740	0.83	1.09	1.07
THDCA	ME907796	0.86	1.05	1.09
Thyronine	ME907757	0.90	1.03	1.08
5-Aminolevulinic acid	ME907720	1.05	1.01	0.94
Serine	ME907755	1.00	0.98	1.01
Cinnamic acid	ME907934	0.98	1.03	0.99
Threonine	ME907756	0.97	1.06	0.97
Benzoic acid	ME907900	0.92	1.09	0.99
Indole-3-carboxaldehyde	ME907885	0.94	1.05	1.01
Coumaric acid/4-Hydroxycinnamic acid	ME907935	1.01	1.07	0.91
Phenylacetylglutamine	ME907749	1.04	1.06	0.91
N-Acetylglutamine	ME907743	1.03	1.07	0.91
Succinic acid	ME907920	1.03	1.06	0.91
Isoleucine	ME907737	0.95	1.11	0.94
TCDCA	ME907794	0.96	1.10	0.94
Ketoleucine	ME907909	0.99	1.07	0.94
1-Methylhistidine	ME907717	0.99	1.09	0.92
Indole-3-carboxylic acid	ME907886	0.99	1.09	0.92
Phenylalanine	ME907750	0.91	1.22	0.87
p-Hydroxymandelic acid	ME907927	0.97	1.14	0.89
Pyrrole-2-carboxylic acid	ME907918	0.93	1.17	0.90
Ribulose	ME907816	0.82	1.24	0.94
Salicyluric acid	ME907769	0.84	1.15	1.00
Octanoylcarnitine	ME907831	0.89	1.16	0.95
Xylulose	ME907819	0.87	1.19	0.94
GDCA	ME907783	1.26	0.37	1.41
LCA-3S	ME907789	1.26	0.42	1.38
Maltose/Lactose	ME907811	1.25	0.39	1.36
bHDCA	ME907777	1.28	0.53	1.19
DPAn-6	ME907863	1.24	0.57	1.19
10Z-Heptadecenoic acid	ME907840	1.19	0.52	1.29
LCA	ME907788	1.21	0.49	1.29
Nicotinic acid	ME907936	1.15	0.52	1.33
Undecanoic acid	ME907883	1.14	0.48	1.38
Dihomo-gamma-linolenic acid	ME907860	1.11	0.61	1.28
HDCA	ME907785	1.09	0.60	1.30
bDCA	ME907776	1.05	0.52	1.36
DPA	ME907862	1.07	0.53	1.40
Myristic acid	ME907871	1.07	0.56	1.37
N-Acetylserine	ME907745	0.83	0.95	1.22
10-Trans-Heptadecenoic acid	ME907839	0.83	0.92	1.25
Glyceric acid	ME907809	0.80	0.95	1.25
beta-D-Fucose	ME907801	0.73	0.90	1.37
bMCA	ME907778	0.68	1.03	1.29
Aminocaproic acid	ME907724	1.05	0.73	1.23
Malic acid	ME907912	1.05	0.74	1.21
Citrulline	ME907729	1.09	0.73	1.18
wMCA	ME907800	1.08	0.72	1.20
Indole-3-pyruvic acid	ME907888	1.09	0.82	1.09
Pelargonic acid	ME907876	1.08	0.86	1.06
Sarcosine	ME907754	1.07	0.85	1.08
3-Methyladipic acid	ME907845	1.05	0.81	1.15
GABA	ME907732	1.06	0.82	1.12
N-Acetyl-D-glucosamine	ME907813	1.06	0.81	1.13
Oxoglutaric acid	ME907917	1.07	0.77	1.16
Myristoleic acid	ME907872	1.09	0.77	1.14
TwMCA	ME907798	1.10	0.77	1.13
Palmitelaidic acid	ME907874	1.20	0.62	1.18
3-Hydroxyphenylacetic acid	ME907925	1.15	0.68	1.17
EPA	ME907864	1.16	0.65	1.19
Indole-3-propionic acid	ME907887	1.15	0.66	1.19
Adrenic acid	ME907851	1.22	0.68	1.10
Isocaproic acid	ME907945	1.21	0.69	1.10
4-Aminohippuric acid	ME907764	1.26	0.67	1.08
Oxalic acid	ME907915	1.25	0.71	1.05
Methylcysteine	ME907741	1.17	0.70	1.13
Palmitoylcarnitine	ME907833	1.14	0.74	1.12
3-Hydroxyisovaleric acid	ME907939	1.13	0.79	1.08
NorDCA	ME907791	1.18	0.76	1.06
Propionic acid	ME907947	1.19	0.74	1.06
4-Methylhexanoic acid	ME907846	0.93	0.81	1.26
Glyceraldehyde	ME907808	0.90	0.82	1.28
10,13-Nonadecadienoic acid	ME907838	0.95	0.75	1.30
bUDCA	ME907779	0.91	0.77	1.32
DCA	ME907781	1.00	0.68	1.32
Glutamic acid	ME907733	0.97	0.69	1.35
2-Phenylpropionate	ME907929	0.95	0.72	1.33
Hydrocinnamic acid	ME907931	0.95	0.71	1.34
2-Butenoic acid	ME907844	0.99	0.78	1.24
Oleylcarnitine	ME907832	0.98	0.77	1.25
Protocatechuic acid	ME907768	0.97	0.78	1.25
Suberic acid	ME907881	1.00	0.74	1.25
Palmitoleic acid	ME907875	0.99	0.72	1.30
Glutamylalanine	ME907922	1.01	0.72	1.27
N-Acetylneuraminic acid	ME907814	1.01	0.71	1.28
5Z-Dodecenoic acid	ME907847	1.01	0.81	1.18
Methylmalonylcarnitine	ME907830	0.98	0.85	1.17
Phthalic acid	ME907767	0.99	0.84	1.17
Linoleic acid	ME907868	0.93	0.84	1.23
Oleic acid	ME907873	0.95	0.86	1.19
Pyruvic acid	ME907919	0.95	0.86	1.20
alpha-Ketoisovaleric acid	ME907899	0.94	1.00	1.07
Phenylpyruvic acid	ME907763	0.94	0.97	1.09
N-Acetyaspartic acid	ME907742	0.90	0.93	1.17
Aspartic acid	ME907727	0.93	0.89	1.18
Fumaric acid	ME907902	0.94	0.90	1.16
Pimelic acid	ME907878	0.95	0.91	1.14
2,2-Dimethyladipic acid	ME907842	0.94	0.94	1.12
Rhamnose	ME907815	0.94	0.93	1.13
10Z-Nonadecenoic acid	ME907841	0.97	0.89	1.14
p-Hydroxyphenylacetic acid	ME907928	0.98	0.88	1.14
3-Methyl-2-oxopentanoic acid	ME907896	0.97	0.92	1.11
Xylose	ME907818	0.98	0.93	1.09
alpha-Hydroxyisobutyric acid	ME907898	0.97	0.89	1.11
Maleic acid	ME907911	0.98	0.90	1.12
Methylmalonic acid	ME907914	1.00	0.91	1.09
Azelaic acid	ME907854	0.99	0.90	1.11
Caprylic acid	ME907856	0.99	0.91	1.10
Guanidoacetic acid	ME907906	1.90	1.01	0.54
DHA	ME907859	1.34	0.66	1.00
Arachidonic acid	ME907853	1.38	0.70	0.92
Lactulose	ME907810	1.37	0.71	0.88
Isobutyric acid	ME907944	1.59	0.77	0.63
alpha-Aminobutyric acid	ME907723	1.35	0.82	0.84
Fructose	ME907802	1.43	0.85	0.72
Valeric acid	ME907948	1.45	0.85	0.69
2-Hydroxy-3-methylbutyric acid	ME907892	1.44	0.86	0.77
Oxoadipic acid	ME907916	1.43	0.80	0.78
Dodecanoic acid	ME907861	1.83	0.49	0.56
Isovaleric acid	ME907946	1.68	0.59	0.72
N-Methylnicotinamide	ME907937	1.80	0.52	0.68
Phenylacetic acid	ME907762	1.76	0.53	0.71
Gluconolactone	ME907805	1.67	0.58	0.87
Citraconic acid	ME907857	1.52	0.57	0.91
Ethylmethylacetic acid	ME907943	1.61	0.46	0.93
Ornithine	ME907748	1.48	0.30	0.94
beta-Alanine	ME907728	1.58	0.30	1.13
isoLCA	ME907787	1.50	0.44	1.06
Tridecanoic acid	ME907882	1.49	0.39	1.12
DCA-3S	ME907782	0.38	0.17	2.45
AMP	ME907891	0.60	0.35	2.05
Pipecolic acid	ME907751	0.50	0.25	2.24
Ricinoleic acid	ME907879	0.56	0.27	2.17
7-DHCA	ME907773	0.31	0.63	2.07
Glutarylcarnitine	ME907825	0.59	0.58	1.77
2-Hydroxyglutaric acid	ME907894	0.64	0.51	1.86
N-Acetylhistidine	ME907744	0.57	0.50	1.94
12-DHCA	ME907771	0.43	0.76	1.81
CA	ME907780	0.43	0.77	1.79
Dodecanoylcarnitine	ME907824	0.47	0.96	1.58
UDCA	ME907799	0.52	0.83	1.65
9-Pentadecenoic acid	ME907849	1.09	0.29	1.62
isoalloLCA	ME907786	0.99	0.30	1.71
Capric acid	ME907855	0.91	0.62	1.48
Pyroglutamic acid	ME907753	0.98	0.59	1.42
9E-tetradecenoic acid	ME907848	0.88	0.49	1.46
Pentadecanoic acid	ME907877	0.97	0.48	1.54
alpha-Linolenic acid	ME907852	0.81	0.72	1.47
HCA	ME907784	0.87	0.71	1.45
7-KetoLCA	ME907774	0.63	0.78	1.47
Indoleacetic acid	ME907889	0.73	0.75	1.52
Linoleylcarnitine	ME907828	0.73	0.77	1.51
Dimethylglycine	ME907731	0.80	0.48	1.72
12-KetoLCA	ME907772	0.83	0.56	1.61
aMCA	ME907775	0.79	0.62	1.59
Tetradecanoylcarnitine	ME907836	0.81	0.64	1.55
Anserine	ME907921	0.78	0.69	1.64
Glutaconic acid	ME907903	0.69	0.67	1.65
Imidazolepropionic acid	ME907884	0.70	0.63	1.67

Factors:

F1	Groups:CON
F2	Groups:DSS
F3	Groups:GL

Data matrix