Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002477)

(Analysis AN004046)

Metabolite	Structure	F1	F2	F3	F4
1,3/ 2,3-Bisphosphoglycerate	ME585715	0.23	2.32	NA	0.04
Pyroglutamate	ME585954	3.42	0.17	NA	0.19
2-Mannosyl-3-phosphoglycerate	ME585721	3.14	0.24	NA	0.31
6-Phosphonogluconolactone	ME585738	3.24	0.21	NA	0.27
Hexose_RT7.2	ME585850	3.31	0.24	NA	0.20
Inosine monophosphate	ME585864	2.95	0.31	NA	0.38
6-Phosphogluconate	ME585737	2.50	0.59	NA	0.38
Cystine	ME585793	2.51	0.50	NA	0.48
Indoxyl sulfate	ME585862	2.76	0.35	NA	0.46
Fucose 1-phosphate	ME585814	2.61	0.42	NA	0.49
5-Aminolevulinate	ME585735	2.68	0.44	NA	0.42
trans-4-Hydroxyproline	ME585984	2.68	0.44	NA	0.42
Hypoxanthine	ME585861	2.27	0.65	NA	0.48
Leucine/Isoleucine	ME585868	2.34	0.54	NA	0.54
Methionine	ME585874	2.31	0.53	NA	0.58
Biotin amide	ME585768	2.09	0.71	NA	0.54
Sedoheptulose 7-phosphate	ME585966	2.09	0.73	NA	0.51
2-Hydroxybutyrate	ME585719	2.00	0.88	NA	0.41
Creatinine	ME585790	2.04	0.81	NA	0.46
Anserine	ME585757	2.59	0.82	NA	0.04
Histamine	ME585854	2.44	0.73	NA	0.26
Thioproline	ME585980	2.22	0.88	NA	0.25
DHAP-isomer	ME585833	0.43	0.71	NA	1.75
Quinolinate	ME585956	0.36	0.72	NA	1.79
Cystathionine	ME585791	0.08	0.73	NA	1.99
Glu-Asp	ME585817	0.31	0.43	NA	2.16
Methylguanine	ME585876	0.17	0.51	NA	2.17
Guanidinosuccinate	ME585844	0.31	1.40	NA	1.04
Phosphocreatine	ME585936	0.21	1.13	NA	1.43
AICAR	ME585749	0.19	1.30	NA	1.25
PE (40:5)	ME585931	0.23	1.25	NA	1.28
Glycineamideribotide	ME585840	0.58	1.49	NA	0.74
N-Acetylneuraminate	ME585891	0.63	1.33	NA	0.90
PE (38:6)	ME585930	0.63	1.30	NA	0.93
PS (38:6)	ME585950	0.71	1.28	NA	0.88
2-/3-Phosphoglycerate	ME585718	0.70	1.25	NA	0.93
Deoxyribose	ME585803	0.66	1.27	NA	0.94
PS (40:7)	ME585953	0.78	1.36	NA	0.75
Leu-Val	ME585870	0.76	1.41	NA	0.70
Salicylamide	ME585963	0.74	1.39	NA	0.74
PI (32:0)	ME585940	0.69	1.38	NA	0.79
PS (38:5)	ME585949	0.69	1.38	NA	0.79
N-Acetylcitrulline	ME585883	0.62	1.41	NA	0.80
PS (40:6)	ME585952	0.67	1.34	NA	0.85
PE (40:7)	ME585932	0.62	1.38	NA	0.84
Tyr-Arg	ME585988	0.65	1.37	NA	0.83
glutamyllysine	ME585829	0.61	1.66	NA	0.52
Carnitine (5:0)	ME585777	0.45	1.65	NA	0.65
Uracil	ME585993	0.40	1.62	NA	0.72
Cysteate	ME585792	0.63	0.96	NA	1.32
Gamma-aminobutyrate	ME585816	0.63	0.91	NA	1.37
Aminoisobutanoate	ME585756	0.60	0.84	NA	1.48
Carnitine (4:0)	ME585776	0.49	0.91	NA	1.48
Glycerophosphoglycerol	ME585837	0.53	0.93	NA	1.42
β-Hydroxycarnitine (6:0)	ME585727	0.56	0.90	NA	1.44
Homovanillate	ME585857	0.53	0.90	NA	1.46
Hydroxyphenyllactate	ME585859	0.53	0.90	NA	1.46
beta-Alanine	ME585766	0.43	0.83	NA	1.61
Hippurate	ME585853	0.36	0.94	NA	1.54
PS (34:2)	ME585945	0.35	0.95	NA	1.53
β-Hydroxycarnitine (4:0)	ME585725	0.82	0.88	NA	1.27
1-Methylhistidine	ME585716	0.77	0.91	NA	1.27
Myoinositol	ME585877	0.78	0.92	NA	1.25
Acetylcholine	ME585741	0.73	0.91	NA	1.30
Phosphorylcholine	ME585939	0.74	0.93	NA	1.28
Galacturonate	ME585815	0.77	0.86	NA	1.34
N,N-Dimethylarginine	ME585879	0.77	0.86	NA	1.33
Dihydrouracil	ME585804	0.78	0.78	NA	1.41
Creatine	ME585789	0.77	0.81	NA	1.38
NADPH	ME585897	0.79	0.80	NA	1.39
β-Hydroxycarnitine (16:0)	ME585724	0.80	0.79	NA	1.38
Glu-Glu	ME585824	0.94	0.73	NA	1.36
Pipecolate	ME585941	0.96	0.81	NA	1.24
β-Hydroxycarnitine (8:0)	ME585728	0.98	0.78	NA	1.27
ADP-ribose	ME585748	0.89	0.81	NA	1.31
N-Acetylglutamine	ME585885	0.93	0.85	NA	1.22
N-Formylmethionine	ME585898	0.90	0.84	NA	1.25
β-Hydroxycarnitine (14:0)	ME585723	0.87	0.85	NA	1.27
Carnitine (glutaryl)	ME585780	0.93	0.62	NA	1.49
Hypotaurine	ME585860	0.80	0.64	NA	1.56
Taurocyamine	ME585979	0.72	0.72	NA	1.53
SAICA	ME585962	0.41	1.14	NA	1.27
dimethylglycine	ME585806	0.46	1.10	NA	1.28
PC (32:0)	ME585906	0.45	1.13	NA	1.25
PE (34:1)	ME585922	0.46	1.12	NA	1.26
Carnitine (16:1)	ME585772	0.52	1.15	NA	1.18
PS (36:1)	ME585946	0.48	1.14	NA	1.22
Deoxypentose monophosphates	ME585802	0.42	1.03	NA	1.38
Hexose_RT8.7	ME585852	0.46	1.02	NA	1.37
Carnitine (10:0)	ME585771	0.59	1.03	NA	1.26
PE (36:3)	ME585926	0.59	1.02	NA	1.28
Glycylglutamine	ME585841	0.52	1.02	NA	1.32
Ophthalmate	ME585901	0.51	1.03	NA	1.32
PE (34:2)	ME585923	0.51	1.07	NA	1.28
PS (38:3)	ME585948	0.49	1.08	NA	1.28
P-DMEA	ME585921	0.77	0.96	NA	1.21
Sorbitol	ME585974	0.80	0.95	NA	1.21
Carnitine	ME585770	0.74	1.03	NA	1.16
Carnitine (6:0)	ME585778	0.74	0.99	NA	1.20
Sphingosine	ME585976	0.76	0.99	NA	1.18
PC (32:1)	ME585907	0.71	1.08	NA	1.12
Glu-Pro	ME585825	0.69	1.00	NA	1.23
PE (36:2)	ME585925	0.62	1.05	NA	1.21
Carnitine (3:0)	ME585775	0.65	1.05	NA	1.20
Choline	ME585783	0.64	1.06	NA	1.19
Ascorbate	ME585760	0.70	1.05	NA	1.17
PC (34:2)	ME585910	0.70	1.05	NA	1.16
PC (36:2)	ME585912	0.67	1.05	NA	1.18
PC (40:4)	ME585917	0.69	1.03	NA	1.19
Hexose_RT7.7	ME585851	0.48	1.35	NA	0.98
PS (40:5)	ME585951	0.52	1.26	NA	1.05
Glucuronolactone	ME585822	0.47	1.28	NA	1.06
SM (36:1)	ME585971	0.46	1.30	NA	1.05
Ribose	ME585957	0.65	1.14	NA	1.09
SM (34:1)	ME585970	0.58	1.14	NA	1.14
PC (34:1)	ME585909	0.61	1.12	NA	1.15
PE (36:1)	ME585924	0.61	1.11	NA	1.16
PE (38:4)	ME585928	0.63	1.13	NA	1.12
Orotidine	ME585904	0.60	1.14	NA	1.13
propionylcholine	ME585944	0.61	1.13	NA	1.13
PS (36:4)	ME585947	0.59	1.20	NA	1.07
PC (36:1)	ME585911	0.59	1.22	NA	1.04
SM (36:2)	ME585972	0.56	1.24	NA	1.04
PE (38:5)	ME585929	0.63	1.25	NA	0.98
PE (38:1)	ME585927	0.65	1.19	NA	1.04
β-Hydroxycarnitine (5:0)	ME585726	0.68	1.21	NA	0.99
Fructose 1,6-bisphosphate	ME585813	0.88	1.24	NA	0.82
SM (32:1)	ME585969	0.94	1.17	NA	0.84
Carnitine (18:0)	ME585773	1.03	1.11	NA	0.85
Glutarate	ME585830	0.94	1.08	NA	0.95
PC (38:5)	ME585916	0.97	1.09	NA	0.92
S-Methylthioadenosine	ME585973	0.96	1.08	NA	0.93
Azelate	ME585765	0.91	1.14	NA	0.90
CMP-2-aminoethylphosphonate	ME585787	0.94	1.14	NA	0.88
Decanoate	ME585799	0.93	1.14	NA	0.89
N-Acetylasparagine	ME585882	0.90	1.13	NA	0.93
Pentoses-1	ME585933	0.93	1.12	NA	0.92
Ergothioneine	ME585809	0.78	1.21	NA	0.92
Phosphoenolpyruvate	ME585937	0.82	1.23	NA	0.87
Carnitine (18:1)	ME585774	0.74	1.12	NA	1.06
Phosphoethanolamine	ME585938	0.72	1.13	NA	1.06
Methacholine	ME585873	0.72	1.16	NA	1.02
UDP-D-galacturonate	ME585990	0.75	1.16	NA	1.00
Gluconate	ME585818	0.79	1.14	NA	0.99
Pentoses-2	ME585934	0.80	1.15	NA	0.97
Acetylarginine	ME585739	0.86	1.11	NA	0.98
PC (36:4)	ME585913	0.86	1.14	NA	0.95
FA (20:2)	ME585812	1.12	0.93	NA	0.99
Proline	ME585943	1.12	0.94	NA	0.99
Threonine	ME585983	1.15	0.90	NA	1.00
UDP-N-acetylglucosamine	ME585992	1.13	0.90	NA	1.01
Cytidine monophosphate	ME585797	1.13	0.87	NA	1.06
Sebacate	ME585964	1.12	0.86	NA	1.08
Aspartylglycosamine	ME585763	1.07	0.91	NA	1.06
Betaine	ME585767	1.06	0.89	NA	1.08
S-Adenosylhomocysteine	ME585960	1.08	1.02	NA	0.92
Val-Lys	ME586000	1.10	1.00	NA	0.92
2-Hydroxyglutarate	ME585720	0.97	1.02	NA	1.00
Glutamine	ME585827	0.93	1.03	NA	1.01
PC (36:5)	ME585914	0.93	1.03	NA	1.01
N-Acetylmethionine	ME585890	1.02	0.94	NA	1.06
Glutamylcysteine	ME585828	0.99	0.96	NA	1.06
PC (32:2)	ME585908	0.99	0.96	NA	1.05
Glutathione	ME585831	1.03	0.98	NA	1.00
Taurine	ME585978	1.06	0.97	NA	0.99
Carnitinamide	ME585769	1.05	0.95	NA	1.01
N-Acetylglycine	ME585886	1.06	0.95	NA	1.02
Alanine	ME585751	1.00	0.91	NA	1.11
N-Acetylalanine	ME585881	1.00	0.90	NA	1.12
Lactate	ME585867	0.99	0.88	NA	1.15
UDP-glucose	ME585991	1.01	0.88	NA	1.13
Glycine	ME585839	1.03	0.85	NA	1.14
N-Acetylhexosamine	ME585887	1.05	0.87	NA	1.11
alpha-Ketoglutarate	ME585754	0.97	0.92	NA	1.11
N,N-Dimethyllysine	ME585880	0.95	0.93	NA	1.12
N-Acetylhexosamine phosphate	ME585888	0.92	0.94	NA	1.13
Glucosamine 6-phosphate	ME585819	0.93	0.92	NA	1.15
Ornithine	ME585902	0.94	0.91	NA	1.15
NAD+	ME585894	0.89	0.88	NA	1.21
Homoarginine	ME585856	0.94	0.89	NA	1.18
4-Guanidinobutyric acid	ME585734	0.91	0.90	NA	1.18
Carnitine (8:0)	ME585779	0.90	0.91	NA	1.18
Aminoadipate	ME585755	0.79	1.06	NA	1.08
5-Glutamyltaurine	ME585736	0.77	1.06	NA	1.10
PC (40:5)	ME585918	0.78	1.04	NA	1.11
Adenosine monophosphate	ME585746	0.83	1.01	NA	1.11
PC (40:6)	ME585919	0.83	1.02	NA	1.10
PC (38:4)	ME585915	0.83	1.04	NA	1.08
Sphinganine	ME585975	0.82	1.05	NA	1.07
3-Hydroxymethylglutarate	ME585729	0.95	0.97	NA	1.07
Aspartate	ME585762	0.90	0.98	NA	1.09
Asp-Pro	ME585764	0.92	0.97	NA	1.09
N-Acetylhexosamine sulfate	ME585889	0.90	1.00	NA	1.08
Pyruvate	ME585955	0.92	1.00	NA	1.06
Glycerophosphocholine	ME585835	0.84	0.95	NA	1.18
Saccharate	ME585959	0.83	0.98	NA	1.15
Glycerophosphoethanolamine	ME585836	0.86	0.99	NA	1.11
Glucosamine 6-sulfate	ME585820	0.85	0.97	NA	1.14
Sedoheptulose	ME585965	0.87	0.98	NA	1.12
Glutamate	ME585826	0.86	0.98	NA	1.13
Diphthamide	ME585807	0.87	0.97	NA	1.13
Leu-Pro	ME585869	0.86	0.97	NA	1.13
Erythrose 4-phosphate	ME585810	1.39	1.50	NA	0.14
Cytidine cyclic phosphate	ME585795	1.32	1.41	NA	0.29
Ala-Tyr	ME585752	1.36	1.33	NA	0.36
N-Acetylornithine	ME585892	1.45	1.29	NA	0.34
Allantoin	ME585753	1.54	1.17	NA	0.41
Deoxycytidine monophosphate	ME585800	1.40	1.18	NA	0.50
3-Methylhistidine	ME585717	0.99	1.55	NA	0.37
Stachydrine	ME585977	1.17	1.40	NA	0.42
Acetylcarnitine	ME585740	0.90	1.37	NA	0.65
3-Methyl-2-oxovalerate	ME585731	1.08	1.26	NA	0.64
Guanosine	ME585846	1.18	1.21	NA	0.63
PC (40:8)	ME585920	1.16	1.22	NA	0.63
Inosine	ME585863	2.07	0.44	NA	0.87
Norleucine	ME585900	1.80	0.73	NA	0.73
Valine	ME585999	1.74	0.73	NA	0.77
Glucose 6-phosphate	ME585821	1.92	0.65	NA	0.73
N-Acetylcysteine	ME585884	1.88	0.65	NA	0.76
Cytidine	ME585794	1.94	0.56	NA	0.82
Ribulose/Ribose/Xylulose 5-phosphate	ME585958	1.88	0.61	NA	0.81
Malate	ME585872	1.61	0.87	NA	0.71
NADH	ME585895	1.68	0.89	NA	0.63
Urate	ME585994	1.70	0.84	NA	0.67
Glutathione disulfide	ME585832	1.81	0.88	NA	0.55
Gly-Leu	ME585842	1.88	0.83	NA	0.55
Adenosine cyclic phosphate	ME585744	1.82	0.79	NA	0.64
Arginine	ME585759	1.90	0.77	NA	0.61
Fructose 6-phosphate	ME585811	1.89	0.72	NA	0.67
Asparagine	ME585761	1.53	0.81	NA	0.83
Phenylalanine	ME585935	1.54	0.77	NA	0.87
4-Guanidinobutanoate	ME585733	1.59	0.64	NA	0.98
Nicotinamide	ME585899	1.53	0.70	NA	0.97
Guanine	ME585845	1.62	0.73	NA	0.85
Histidine	ME585855	1.67	0.67	NA	0.89
cis-4-Hydroxyproline	ME585784	1.63	0.66	NA	0.93
Glu-Gln	ME585823	1.62	0.68	NA	0.92
Uridine monophosphate	ME585997	1.38	0.63	NA	1.14
Xanthine	ME586001	1.53	0.53	NA	1.16
Oxoadipate	ME585905	1.20	0.75	NA	1.15
Dihydroxyacetone phosphate	ME585805	1.11	0.73	NA	1.24
Glycerophosphoinositol	ME585838	1.08	0.77	NA	1.21
Glycerol 3-phosphate	ME585834	1.12	0.64	NA	1.33
Kynurenine	ME585866	1.27	0.58	NA	1.28
Guanosine monophosphate	ME585849	1.29	0.77	NA	1.05
CDP-ethanolamine	ME585782	1.21	0.86	NA	1.01
S-Adenosylmethionine	ME585961	1.21	0.81	NA	1.07
Uridine	ME585995	1.39	0.78	NA	0.97
Trigonelline	ME585986	1.27	0.96	NA	0.85
Carnosine	ME585781	1.30	0.93	NA	0.87
Ser-Arg	ME585967	1.27	0.92	NA	0.89
trans-Aconitate	ME585985	1.22	0.94	NA	0.91
Cytidine triphosphate	ME585798	1.26	0.90	NA	0.92
dTDP-glucose	ME585808	1.22	0.90	NA	0.96
Methyl 4-aminobutyrate	ME585875	1.22	0.91	NA	0.95
N-Acetylserine	ME585893	1.28	0.83	NA	0.99
Citicoline	ME585785	1.28	0.84	NA	0.98
Cytidine diphosphate	ME585796	1.28	0.85	NA	0.97
Lysine	ME585871	1.30	0.84	NA	0.96
Uridine diphosphate	ME585996	1.31	0.85	NA	0.94
Adenosine	ME585743	1.34	0.86	NA	0.91
Itaconate	ME585865	1.37	0.87	NA	0.89
Serine	ME585968	1.36	0.88	NA	0.88
Tryptophan	ME585987	1.36	0.88	NA	0.87
Adenosine diphosphate	ME585745	1.20	1.02	NA	0.83
Deoxyguanosine diphosphate	ME585801	1.24	1.01	NA	0.81
Adenosine triphosphate	ME585747	1.16	1.03	NA	0.85
N,N,N-Trimethyllysine	ME585878	1.20	0.98	NA	0.87
CoenzymeA	ME585788	1.14	1.10	NA	0.78
Orotate	ME585903	1.12	1.11	NA	0.78
Citrulline	ME585786	1.22	1.06	NA	0.78
Thr-Arg	ME585981	1.21	1.07	NA	0.77
2-Methylmaleate	ME585722	1.25	1.08	NA	0.73
NADP+	ME585896	1.20	1.11	NA	0.73
Guanosine diphosphate	ME585847	1.34	1.02	NA	0.73
Platelet-activating factor	ME585942	1.37	1.01	NA	0.72
3-Hydroxypyruvate	ME585730	1.36	1.06	NA	0.67
Arg-Ala	ME585758	1.40	1.02	NA	0.68
Threonate	ME585982	1.35	0.94	NA	0.81
4alpha-Hydroxyformyl-4beta-methyl-5alpha-cholest-8-en-3beta-ol	ME585732	1.29	1.00	NA	0.79
Hydroxycitrate	ME585858	1.32	1.01	NA	0.76
Uridine triphosphate	ME585998	1.44	0.91	NA	0.79
Guanidinoacetate	ME585843	1.48	0.87	NA	0.80
Tyrosine	ME585989	1.47	0.89	NA	0.78
Guanosine diphosphate mannose	ME585848	1.46	0.99	NA	0.68
Acetyl-CoA	ME585742	1.49	0.95	NA	0.70
Ala-Leu	ME585750	1.46	0.95	NA	0.72

Factors:

F1	Experimental Factors:Control
F2	Experimental Factors:Mild
F3	Experimental Factors:QC
F4	Experimental Factors:Severe

Data matrix