Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002984)

(Analysis AN004903)

Metabolite	Structure	F1	F2	F3	F4	F5
2,3-Diphosphoglycerate	ME775071	NA	0.00	0.72	5.62	0.03
Ethanolamine Phosphate	ME775074	3.18	0.91	1.27	0.27	0.64
Creatine_phosphate	ME775067	4.29	0.64	0.52	0.22	0.27
Tartaric acid	ME775045	4.15	0.52	0.77	0.90	0.41
Azelaic acid	ME775011	0.38	0.30	0.36	0.30	3.51
gamma-Ala-Lys	ME775114	0.32	0.14	0.31	0.24	3.84
gamma-Glu-homoCys-Gly	ME775125	0.11	0.12	3.42	0.10	0.90
Dihydroorotate	ME775072	0.26	0.22	2.90	0.25	0.94
Lanthionine	ME775150	0.15	0.37	2.99	0.20	0.97
3,4-Dihydroxymandelic acid	ME774996	1.93	0.19	2.05	0.79	0.45
Sebacic acid	ME775042	0.61	0.51	0.65	0.63	2.50
2-Oxobutyrate	ME775099	0.64	0.57	1.06	0.55	1.95
Sucrose	ME775182	0.55	0.49	0.69	1.08	2.00
GDP-D-mannose	ME775085	NA	0.76	0.79	NA	1.73
Glutathione_oxidized form	ME775122	0.29	0.39	0.25	NA	1.47
Ala-Ala	ME775113	0.65	0.71	2.16	0.49	0.91
Fructose-6-Phosphate	ME775076	0.86	1.17	1.68	0.37	0.91
Glucose-6-Phosphate	ME775081	0.65	0.96	1.87	0.37	0.75
3-Phospho-D-glycerate + 2-Phospho-D-glycerate	ME775102	1.15	1.13	1.71	0.65	0.45
UMP	ME775174	0.64	1.40	1.70	0.37	0.23
Dihydrooroticacid	ME775017	NA	0.02	2.01	0.01	0.82
Sedoheptulose_7-phosphate	ME775107	NA	0.77	1.69	0.17	0.17
Dimethylallyl pyrophosphate	ME775180	0.30	0.37	1.44	NA	0.69
Isopentenyl pyrophosphate	ME775181	NA	0.23	1.43	NA	0.37
AMP	ME775164	1.41	0.83	1.22	NA	0.84
L-Threonic acid	ME775034	1.08	1.09	0.87	NA	0.51
D-4^-Phosphopantothenate	ME775179	1.90	1.14	0.94	0.69	0.67
Glucose-1-Phosphate	ME775080	1.98	1.25	0.83	0.79	0.67
N-Acetyl-D-glucosamine_6-phosphate	ME775059	1.61	1.13	1.24	0.58	0.41
2,3-Dihydroxybenzoate	ME774983	1.21	1.49	1.18	0.53	0.70
Gentisic acid	ME775024	1.49	1.46	1.18	0.55	0.62
CMP	ME775166	1.79	1.89	0.83	0.35	0.53
N-Acetyl-a-D-glucosamine_1-phosphate	ME775058	1.16	1.87	0.73	0.32	0.85
2-Phosphoglycolate	ME774995	0.05	0.45	1.68	1.69	0.21
Ophthalmic Acid	ME775155	0.69	0.70	1.62	1.34	0.47
dGMP	ME775168	0.63	0.49	1.60	1.52	0.57
ADP	ME775165	0.57	0.40	1.74	1.69	0.41
dGDP	ME775170	0.57	0.39	1.75	1.69	0.41
p-Toluenesulfonic acid	ME775040	0.92	0.61	0.53	2.39	0.37
Thiotaurine	ME775160	0.53	0.49	0.74	2.39	0.48
5-Keto-gluconate	ME775006	0.36	0.22	0.54	2.65	0.78
DL-Homocysteic acid	ME775148	0.33	0.25	0.71	2.52	0.68
gamma-Glu-Abu	ME775128	0.27	0.43	0.75	2.40	0.64
N-α-Acetyl-L-methionine_sulfoxide	ME775061	0.53	0.49	1.01	1.64	0.36
Pyrophosphate	ME775176	0.63	0.72	1.26	1.52	0.66
gamma-Glu-Thr	ME775133	0.89	0.73	0.76	1.69	0.81
3-Methylthiopropionate	ME775094	0.69	0.75	0.71	1.65	0.65
Acetoacetate	ME775057	0.82	0.64	0.63	1.54	0.73
gamma-Glu-Trp	ME775144	1.05	0.39	1.12	1.40	1.10
gamma-Glu-Glu	ME775145	0.68	0.36	0.97	1.80	1.00
2-Succinyl Cysteine	ME775158	0.72	0.38	1.12	1.49	1.15
Orotic_acid	ME775098	0.78	0.67	1.03	1.57	0.81
gamma-Glu-Taurine	ME775134	0.81	0.47	0.99	1.67	0.93
Asp-Asp-Gly	ME775009	0.77	0.49	1.13	1.57	0.91
gamma-Glu-Tyr	ME775143	0.79	0.42	1.10	1.58	1.00
gamma-Glu-Met	ME775138	0.08	0.10	0.78	2.29	1.21
Nicotinic_Acid	ME775096	0.38	0.42	1.03	1.72	1.10
2,6-Pyridinedicarboxylic acid	ME774984	0.35	0.42	1.05	1.69	1.14
Quinolinate	ME775104	0.34	0.42	1.05	1.69	1.14
Ascorbic_acid	ME775065	0.44	0.24	0.77	2.09	1.09
D-Glucopyranuronate	ME775016	0.49	0.30	0.77	1.98	1.07
D-Glucuronate	ME775084	0.49	0.31	0.78	2.00	1.10
gamma-Glu-homoCys	ME775124	1.64	0.26	1.19	1.50	0.78
trans-2-Butenoic acid	ME775047	1.66	0.88	0.98	1.16	0.25
Deoxyuridine	ME775014	1.68	0.81	0.41	1.70	0.43
PLP (pyridoxal-5^-phosphate)	ME775103	1.42	0.47	0.64	1.86	0.27
2-Hydroxyhippuric acid	ME774987	1.50	0.74	0.74	1.60	0.43
cyclic FMN	ME775013	1.62	0.48	0.84	1.67	0.46
UDP-N-acetylgalactosamine	ME775109	0.22	0.53	1.64	0.68	1.53
3-Methyl-L-His	ME775153	0.73	0.55	1.84	0.84	0.97
Cys-Gly	ME775117	1.01	0.52	1.81	1.02	0.89
Glutathione, reduced	ME775121	1.02	0.64	1.49	1.02	0.89
Dihydrouracil	ME775118	0.46	0.49	1.57	1.06	1.20
2-oxoglutarate	ME775097	0.61	0.49	1.14	1.09	1.52
gamma-Glu-Phe	ME775140	0.63	0.31	1.32	1.34	1.25
Xanthine	ME775163	0.75	0.46	1.29	1.17	1.24
Ferulic acid	ME775019	0.79	1.22	0.64	1.08	1.08
3-Methyladipic acid	ME774999	0.81	1.75	0.47	0.94	0.62
D-Glyceric_acid	ME775082	0.85	1.50	0.98	0.77	0.76
gamma-Glu-Arg	ME775141	1.08	0.86	0.55	1.54	0.97
Allatoin	ME775110	1.20	0.82	0.80	1.28	0.99
D-Glucosamine 1-phosphate	ME775169	1.10	0.86	0.71	1.28	1.08
Asp-Asp-Ser	ME775010	1.39	0.60	0.98	1.21	0.63
Ergothioneine	ME775119	1.52	0.64	1.13	1.22	0.79
3-Indoleacetic Acid	ME775149	1.33	0.74	0.91	1.42	0.75
gamma-Glu-Citrulline	ME775142	1.28	0.87	0.78	1.49	0.68
4-Hydroxyproline	ME775184	1.02	0.98	1.12	1.31	0.54
L-Homocysteic acid	ME775033	1.15	0.77	1.06	1.34	0.74
N-Acetylaspartate	ME775062	1.12	0.84	1.02	1.31	0.75
N-Acetyl-D-mannosamine	ME775112	1.04	1.09	0.64	1.41	0.75
Hypotaurine	ME775146	0.96	1.09	0.77	1.37	0.73
Pyroglutamic acid	ME775041	0.87	1.16	0.80	1.31	0.72
2-Deoxy-glucose_6-phosphate	ME775073	1.29	1.34	0.61	1.33	0.44
4-Phospho-D-erythronate	ME775004	1.26	1.04	0.72	1.19	0.56
Glycerol 2-phosphate	ME775043	1.16	1.23	0.76	1.26	0.60
Glycerol_3-phosphate	ME775079	1.15	1.22	0.77	1.27	0.61
Fructose1,6-diphosphate	ME775077	1.16	0.90	0.75	1.56	0.34
glyceraldehyde 3-phosphate/Dihidroxyacetophosphate	ME775070	0.69	1.11	0.72	1.66	0.46
Homocystine	ME775147	1.02	1.29	0.49	1.64	0.26
2-Picolinic acid	ME775156	0.52	1.07	1.16	1.01	0.97
Erythose	ME775018	0.59	0.97	1.04	1.00	1.19
2-Hydroxyisovaleric acid	ME774988	0.81	0.89	1.03	0.86	1.35
2-Methyl-3-Hydroxybutyric acid	ME774992	0.80	0.89	1.04	0.83	1.37
L-Cysteinesulfinic acid	ME775115	0.88	0.78	1.07	0.90	1.35
Pyruvate	ME775100	0.90	0.84	1.07	0.85	1.32
Aspartic acid	ME775185	0.76	0.82	1.00	0.99	1.34
5-Dehydroquinic acid	ME775005	0.76	0.70	1.13	1.04	1.28
Glutamic acid	ME775120	0.73	0.80	1.12	1.00	1.22
O-Acetyl-L-serine	ME775111	0.72	0.80	1.12	1.01	1.22
beta-hydroxy-beta-methylbutyrate (HMB)	ME775051	0.78	0.76	1.17	0.75	1.48
Ketoleucine (3-Methyl-2-oxovaleric acid)	ME775029	0.94	0.88	1.20	0.68	1.32
2-Isopropylmalic acid	ME774990	0.92	0.60	1.38	0.93	1.13
Mandelic acid	ME775036	0.86	0.85	1.26	0.96	1.16
Urocanic acid	ME775162	0.90	0.85	1.22	0.95	1.05
2-C-Methyl-D-erythritol 4-phosphate	ME774985	1.04	0.78	1.32	0.82	1.12
Cystine	ME775116	1.03	0.78	1.21	0.93	1.10
N-Acetyl-Asp-Glu	ME775063	0.93	0.75	1.27	0.90	1.17
O-Phospho-L-serine	ME775157	0.55	0.82	1.32	0.93	1.18
Gly-Leu	ME775127	0.74	0.65	1.28	1.13	1.08
Thiosulfate	ME775108	0.71	0.66	1.31	0.98	1.23
ADP-ribose	ME775064	0.56	0.91	1.21	0.68	1.30
3-Hydroxyphenylacetic acid	ME774998	0.77	0.85	1.40	0.70	1.21
4-Hydroxyphenylacetic acid	ME775001	0.78	0.83	1.39	0.73	1.24
2-Deoxy-D-ribose 5-phosphate	ME774986	0.80	0.81	1.59	0.73	1.08
gamma-Glu-Ala	ME775129	0.64	0.87	1.48	0.84	1.02
DL-Glyceraldehyde-3-phosphate	ME775083	0.70	0.75	1.09	1.17	1.19
gamma-Glu-Leu	ME775135	0.88	0.59	1.07	1.23	1.19
Phenylpyruvic acid	ME775039	0.77	0.62	1.11	1.21	1.19
4-Hydroxyphenyllactic acid	ME775002	0.75	0.62	1.12	1.18	1.22
Homovanillic acid	ME775028	0.76	0.62	1.12	1.17	1.24
3-Hydroxymethylglutaric acid	ME774997	0.89	0.79	1.04	1.09	1.16
4-Hydroxybenzoic acid	ME775000	0.88	0.74	1.06	1.20	1.06
Glu-Asp	ME775025	0.87	0.69	1.13	1.24	1.01
Methionine Sulfoxide	ME775154	0.94	0.87	0.95	1.22	0.97
gamma-Glu-Ser	ME775131	0.87	0.83	0.88	1.28	1.06
N-Acetylneuraminic_acid	ME775060	0.83	0.87	0.89	1.35	0.95
gamma-Glu-Val	ME775132	0.84	0.66	0.93	1.31	1.19
gamma-Glu-Gly	ME775130	0.83	0.72	0.88	1.23	1.24
Leucinic acid	ME775031	0.86	0.77	0.86	1.26	1.17
alpha-HMB	ME775052	0.92	0.78	0.85	1.12	1.30
Glutaric acid	ME775027	0.78	0.86	0.80	1.19	1.25
Carbamoyl-DL-aspartic_acid	ME775066	1.14	0.52	0.99	1.16	0.85
2-Methyl citrate	ME774991	1.04	0.67	1.10	1.24	0.99
Formyl-L-methionine	ME775022	1.09	0.73	1.08	1.19	0.96
O-Succinyl-L-homoserine	ME775038	1.28	0.64	1.03	1.16	1.08
gamma-Glu-Cys	ME775023	1.18	0.56	1.16	1.12	1.11
Leu-Leu-Tyr	ME775151	1.20	0.56	1.16	1.16	0.97
2-Hydroxyglutaric_Acid	ME775088	1.11	0.74	1.01	1.01	1.23
2-Methylhippuric acid	ME774994	1.09	0.67	0.92	1.14	1.24
Glutaconic acid	ME775026	1.05	0.68	0.99	1.10	1.24
Itaconic acid	ME775172	1.08	0.69	0.97	1.12	1.21
2-Methylbenzoic acid	ME774993	1.32	0.72	1.14	0.91	1.13
Uric_acid	ME775161	1.06	0.91	1.14	0.93	1.02
L-Cysteine_S-sulfate	ME775068	1.05	0.78	1.16	1.05	1.01
Fumarate	ME775075	1.13	0.82	1.07	1.01	1.06
Citraconic acid	ME775178	1.20	0.77	1.15	0.98	1.05
trans-Aconiticacid	ME775048	1.23	0.76	1.06	1.03	1.07
Benzoic acid	ME775012	0.90	1.10	1.21	0.87	0.88
Orthophosphate	ME775037	0.89	1.07	1.31	0.67	1.05
MES (IS)	ME775090	1.06	1.12	0.89	1.06	0.89
Tyrosol	ME775049	1.03	1.03	0.92	1.15	0.86
gamma-Glu-His	ME775139	0.90	0.96	0.92	1.07	1.09
Lactate	ME775091	0.95	1.03	0.93	0.99	1.06
1-Methyluracil	ME774982	1.08	1.05	0.86	1.00	1.05
Cysteic_acid	ME775069	1.02	0.99	0.89	1.11	0.98
Caproic acid	ME775020	1.06	0.99	0.96	1.06	0.96
Enanthic acid	ME775021	1.07	0.97	0.97	1.02	1.01
gamma-Glu-Lys	ME775137	1.07	0.98	0.98	0.98	1.03
L-Ascorbic acid 2-sulfate	ME775030	0.98	0.91	1.21	1.07	0.82
Succinate	ME775106	0.89	0.95	1.05	1.05	0.99
Succinic anhydride	ME775044	0.83	0.94	1.09	1.05	1.00
Iso-citrate	ME775171	0.92	0.87	1.09	1.11	0.97
N-Methyl-Arg	ME775152	0.95	0.91	1.02	1.08	1.01
2-Furoic acid	ME775177	1.08	0.95	1.06	1.09	0.85
Citrate	ME775167	1.08	0.96	1.08	1.06	0.87
2-Hydroxyphenylacetic acid	ME774989	0.96	0.98	1.04	1.03	0.96
4-Methylbenzoic acid	ME775003	1.03	0.96	1.08	1.02	0.94
Butyrate	ME775175	0.97	1.13	0.93	0.84	1.12
D-Glucose	ME775086	0.81	1.09	0.98	0.83	1.21
beta-Keto-iso-valeric acid	ME775054	0.85	1.10	1.01	0.96	1.13
Gly-Gly	ME775126	0.87	1.05	0.98	0.92	1.11
D-(+)-Glucosamine	ME775123	1.08	0.93	1.11	0.78	1.18
D-Glucarate	ME775015	1.09	1.05	1.07	0.88	0.97
3-Methyl-2-oxopentanoate	ME775095	1.07	1.07	1.01	0.84	1.07
keto-isocaproic acid (4-Methyl-2-oxopentanoate)	ME775053	1.07	1.06	1.01	0.84	1.07
N-Acetyl-L-glutamic_Acid	ME775056	1.41	0.78	1.03	1.14	0.87
Terephthalic acid	ME775046	1.22	0.85	0.99	1.20	0.85
Maltitol/Lactitol	ME775035	1.22	0.89	0.97	1.09	0.95
cis-Aconitate	ME775055	1.27	0.84	1.06	1.03	0.96
Malate	ME775092	1.26	0.78	1.04	1.10	0.97
Citicoline	ME775183	1.35	0.92	1.03	0.91	0.94
Levulinic acid	ME775032	1.44	0.99	0.96	1.03	0.80
cTMP	ME775173	1.27	1.19	1.05	0.81	0.67
Ribose5-phosphate + Ribulose5-phosphate + D-Xylulose_5-phosphate	ME775105	1.27	1.12	1.04	0.91	0.78
Acetyl-glycine	ME775007	1.19	1.00	1.06	1.06	0.79
gamma-Glu-Gln	ME775136	1.27	1.07	0.84	1.15	0.79
Adipic acid	ME775008	1.21	1.11	0.90	0.98	0.90
Taurine	ME775159	1.18	1.19	0.87	1.03	0.79
4-Hydroxyphenylpyruvic acid	ME775089	1.06	0.95	1.37	0.50	1.31
Mevalonate	ME775093	1.52	1.02	1.14	0.79	0.84
Phosphoenolpyruvate	ME775101	1.41	0.91	1.15	0.71	1.09
Galactose-1-Phosphate	ME775078	1.35	1.16	0.93	0.69	1.08
beta-Hydroxybutyrate	ME775087	1.28	0.99	0.92	0.72	1.22
beta-hydroxy-iso-butyrate	ME775050	1.38	0.97	0.99	0.68	1.25

Factors:

F1	Symotons:asymptomatic
F2	Symotons:mild
F3	Symotons:moderate
F4	Symotons:Negative
F5	Symotons:severe

Data matrix