Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for High PUFA diet in humans (Study ST000041)

MS negative ion mode (Analysis AN000062)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14
2-METHYLMALEATE	ME646029	0.62	1.93	0.88	3.41	0.47	1.89	NA	0.80	0.49	0.94	0.90	0.77	0.47	NA
BOC-ASN	ME646072	0.26	0.45	0.35	4.03	0.50	0.42	0.55	NA	0.43	NA	2.01	NA	NA	NA
CHOLESTEROL SULFATE	ME646083	NA	NA	0.66	4.01	NA	0.47	0.15	0.52	NA	1.15	NA	0.53	NA	NA
URSODIOL	ME646202	1.00	1.46	2.51	1.51	1.35	2.04	2.06	NA	0.29	0.72	0.89	0.32	0.32	NA
GUANOSINE	ME646118	0.85	1.41	1.95	0.29	3.14	1.66	1.32	NA	0.70	0.42	0.43	0.62	0.96	0.26
INOSINE	ME646128	0.28	0.85	0.92	NA	3.00	1.26	1.48	NA	1.20	0.68	0.71	0.46	1.14	0.49
CIS-11-EICOSENOIC ACID	ME646085	NA	2.16	1.14	0.14	NA	NA	0.91	0.71	0.20	1.47	1.49	NA	0.15	NA
ARACHIDIC ACID	ME646061	NA	NA	1.21	1.02	NA	0.39	1.45	NA	0.78	NA	NA	0.21	1.16	1.55
ALDOSTERONE	ME646056	NA	NA	NA	0.80	NA	0.57	1.22	2.07	NA	1.13	NA	NA	0.88	0.76
CORTICOSTERONE	ME646089	NA	1.23	NA	1.57	0.96	1.16	0.77	1.06	0.99	0.74	NA	0.86	NA	NA
RETINOATE	ME646182	NA	0.86	NA	0.73	NA	0.94	1.17	1.64	NA	0.75	NA	0.95	NA	NA
HEXURONIC ACID	ME646122	0.91	1.06	1.05	1.24	0.80	NA	NA	1.58	NA	NA	0.78	NA	0.57	NA
BILIVERDIN	ME646069	1.10	1.82	1.41	2.03	0.73	0.57	1.08	0.69	0.37	0.91	NA	0.24	NA	NA
4-HYDROXY-L-PHENYLGLYCINE	ME646043	1.39	0.89	1.19	0.81	NA	NA	NA	0.68	0.97	0.90	NA	NA	NA	NA
5-AMINOLEVULINIC ACID	ME646049	1.21	0.97	1.04	1.17	0.77	0.32	0.83	0.95	1.09	1.05	1.01	NA	NA	NA
1-HYDROXY-2-NAPHTHOATE	ME646021	NA	0.64	1.53	1.41	NA	NA	0.93	NA	0.81	1.49	NA	0.87	0.44	NA
CHOLATE	ME646082	0.72	0.85	1.34	0.71	0.51	1.06	0.74	NA	0.92	2.10	NA	NA	0.65	NA
N-ALPHA-ACETYL-L-LYSINE	ME646152	0.64	0.78	0.69	1.21	1.47	NA	NA	NA	NA	1.21	1.18	1.01	0.70	NA
TRICOSANOIC ACID	ME646197	0.94	NA	1.45	1.18	0.81	0.66	NA	NA	NA	0.83	NA	0.83	1.13	NA
SALICYLIC ACID	ME646187	2.13	2.38	0.61	1.77	1.19	0.41	0.55	1.49	0.64	0.76	0.67	1.15	0.64	0.49
MYRISTIC ACID	ME646143	1.30	1.41	NA	1.48	1.11	0.88	0.81	NA	1.03	0.44	0.83	0.67	0.96	1.03
BOC-ASP-OH	ME646074	1.02	0.96	1.13	NA	1.03	0.90	0.93	NA	1.04	NA	0.95	1.06	0.91	0.99
PANTOTHENIC ACID	ME646164	1.22	0.92	NA	NA	0.73	1.01	1.02	NA	1.01	NA	NA	0.94	1.25	0.86
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE	ME646048	NA	1.19	0.98	0.89	0.77	NA	1.46	NA	0.98	0.83	1.07	0.93	1.04	0.96
CYSTINE	ME646095	0.98	0.77	NA	NA	1.10	NA	1.20	0.98	1.30	1.23	0.80	0.95	1.04	0.89
6-PHOSPHOGLUCONIC ACID	ME646053	NA	1.05	1.07	NA	1.26	NA	1.16	0.47	0.97	0.90	0.94	NA	0.94	NA
MELATONIN	ME646136	1.22	1.43	1.17	NA	0.97	NA	1.54	0.97	1.04	0.90	0.58	0.78	0.37	NA
CYSTEIC ACID	ME646094	0.53	1.54	1.46	1.14	2.04	0.48	0.82	1.09	0.91	0.91	0.60	1.37	0.63	0.54
LAUROYLCARNITINE	ME646132	1.26	1.53	0.89	0.95	1.83	1.04	1.00	0.59	0.72	0.57	0.80	1.11	NA	NA
STEARATE	ME646191	1.23	0.95	NA	1.07	0.85	1.10	0.43	0.91	1.20	1.02	2.04	0.73	0.69	0.58
CHENODEOXYCHOLATE	ME646081	0.50	0.84	0.70	0.43	1.40	0.87	0.61	0.79	1.01	1.70	1.81	0.78	1.18	0.40
GLYCOCHOLATE	ME646116	0.63	0.86	1.04	0.71	0.24	1.37	0.37	0.86	1.37	1.90	1.68	0.58	0.83	0.73
ARGININE	ME646063	1.08	1.22	1.19	1.00	1.09	1.08	1.04	1.14	0.88	NA	0.83	NA	0.81	0.56
PALMITIC ACID	ME646162	1.08	1.03	1.26	1.96	0.73	0.87	1.26	0.94	0.84	NA	0.78	0.73	1.03	1.07
TAURINE	ME646193	1.43	1.03	0.94	1.91	0.69	0.81	0.92	1.15	0.93	0.54	1.32	0.65	1.31	0.46
3-HYDROXYBENZYL ALCOHOL	ME646037	1.02	0.69	1.01	0.71	NA	1.38	0.74	1.37	0.51	1.07	1.48	0.89	1.06	NA
FUMARIC ACID	ME646109	1.05	1.00	0.68	1.08	1.16	0.76	1.13	0.79	NA	1.26	1.17	0.97	0.87	NA
GLUCARIC ACID	ME646110	0.87	1.01	NA	1.12	0.91	1.07	1.02	1.52	0.80	0.82	1.16	1.09	0.99	NA
INDOLE-3-ACETIC ACID	ME646127	1.05	1.33	0.90	1.17	0.65	0.76	0.79	0.92	1.17	0.74	0.36	2.09	1.17	0.67
OXALATE	ME646161	NA	1.09	1.17	1.48	1.18	1.26	0.75	1.21	0.84	0.88	0.76	0.66	0.97	0.72
INDICAN	ME646126	0.54	0.74	0.66	0.83	0.41	1.26	1.69	1.14	1.11	1.36	1.44	0.80	0.84	0.82
XANTHINE	ME646203	1.09	1.13	1.19	NA	0.81	0.97	1.56	1.05	0.97	0.90	0.97	0.95	0.91	0.87
3-(2-HYDROXYPHENYL)PROPANOATE	ME646030	0.72	0.63	0.86	0.78	0.71	NA	0.67	1.56	1.00	1.30	1.22	1.24	1.14	0.59
4-PYRIDOXATE	ME646046	0.67	0.80	0.89	0.86	0.58	0.52	0.46	0.91	1.20	1.31	1.31	1.34	1.29	1.29
CYCLOHEPTANECARBOXYLIC ACID	ME646092	1.02	1.16	1.17	1.05	0.62	1.10	0.67	1.75	0.89	1.46	0.78	1.17	0.58	0.26
CAPRYLIC ACID	ME646079	1.04	1.07	1.26	1.20	0.69	1.23	0.93	0.60	1.01	1.25	0.88	0.98	1.02	0.57
NONANOATE	ME646157	1.13	1.21	1.17	1.25	0.49	1.22	1.05	0.62	0.87	1.10	1.14	1.04	0.95	0.43
3-METHOXY-L-TYROSINE	ME646038	1.05	1.28	0.74	1.04	1.15	1.03	1.00	1.21	0.86	0.81	1.02	1.15	0.91	0.73
AMINOHYDROXYBUTANOIC ACID	ME646059	1.12	1.29	0.87	1.02	0.99	1.39	0.93	0.92	0.80	0.92	0.97	1.12	0.61	1.10
(S)-LACTATE	ME646013	1.30	1.65	0.82	1.27	0.94	1.03	0.94	1.05	0.78	0.82	0.86	1.08	0.75	1.11
OLEATE	ME646159	1.17	0.73	1.17	1.13	0.52	1.17	1.08	0.77	0.70	1.01	1.19	1.21	1.15	1.17
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID	ME646041	0.84	1.06	0.76	1.23	0.79	0.91	0.94	0.85	0.98	1.17	0.91	1.22	1.18	0.87
DEOXYRIBOSE	ME646100	0.76	1.01	0.69	1.01	0.83	0.78	0.72	1.13	1.06	1.04	1.03	1.53	1.19	1.07
PYRUVATE	ME646180	0.93	1.00	1.00	1.19	0.73	0.68	0.73	1.03	0.84	1.01	0.98	1.59	0.94	1.07
2-HYDROXYQUINOLINE	ME646028	1.20	1.08	1.23	1.31	0.62	0.99	1.09	1.17	0.97	0.86	0.91	0.70	1.00	0.79
3-HYDROXY-3-METHYLGLUTARATE	ME646035	1.18	0.87	0.81	0.89	0.95	0.86	0.97	1.26	0.99	0.96	1.13	1.14	0.92	1.01
GLUTARATE	ME646114	1.04	0.82	0.85	0.87	0.98	0.76	0.99	1.46	1.00	1.05	1.03	1.14	0.96	0.94
P-BROMO-DL-PHENYLALANINE	ME646165	1.01	1.10	0.98	0.76	1.06	1.05	1.34	0.90	0.92	1.00	0.86	1.05	1.04	1.07
PHENYLACETIC ACID	ME646169	0.93	1.06	0.84	0.86	0.74	1.16	1.33	1.03	0.97	1.13	1.01	1.06	0.90	0.95
KYNURENINE	ME646130	1.06	1.00	0.96	0.89	0.44	0.97	1.21	0.97	1.11	1.02	1.16	1.02	1.06	0.86
N-ACETYL-L-LEUCINE	ME646148	0.99	0.91	0.91	0.89	0.67	0.99	0.97	1.00	1.15	0.79	1.17	1.19	1.10	1.12
N-ACETYL-L-PHENYLALANINE	ME646149	1.15	0.93	0.99	1.17	0.68	1.25	0.95	1.09	0.92	0.79	0.89	1.14	0.93	0.99
PROLINE	ME646176	1.06	1.00	0.83	0.97	0.57	1.19	0.91	1.07	0.87	1.00	0.96	1.19	1.04	1.14
5-OXO-PROLINE	ME646052	1.17	1.20	1.06	1.12	0.90	1.09	1.10	0.72	0.93	1.03	0.95	0.93	0.85	0.93
METHIONINE	ME646138	1.08	1.22	1.01	1.11	0.83	1.16	1.00	0.88	0.96	1.03	0.96	1.03	0.87	0.85
TRYPTOPHAN	ME646198	1.04	1.15	1.01	1.18	0.74	1.16	0.96	0.89	0.93	1.05	0.97	1.10	0.93	0.85
GLUTAMINE	ME646113	1.12	1.12	0.99	1.03	1.04	1.10	1.04	1.05	0.96	0.97	0.98	0.95	0.81	1.02
HISTIDINE	ME646124	1.11	1.18	1.07	1.03	0.86	1.01	1.03	0.91	1.00	0.95	0.97	0.95	0.96	1.05
URATE	ME646201	1.00	1.18	1.13	1.08	0.85	1.02	1.14	0.86	1.07	0.92	0.97	0.91	0.88	1.20
AMINOHEXANOIC ACID	ME646058	0.83	1.17	1.17	1.15	0.70	1.12	0.83	1.04	0.98	1.20	0.99	0.96	0.89	0.92
PENTITOL	ME646167	1.04	0.90	1.02	1.03	0.90	0.89	1.08	1.06	0.72	1.18	1.12	1.10	0.95	0.96
4-AMINOBENZOATE	ME646040	1.01	0.96	1.00	1.00	1.07	0.85	0.97	1.08	0.92	1.16	1.06	1.00	0.93	0.90
MYO-INOSITOL	ME646142	0.98	0.89	0.99	1.07	0.94	0.92	0.90	1.24	0.96	1.13	1.02	1.04	0.90	0.96
5,6-DIHYDROURACIL	ME646047	0.99	0.94	0.99	0.89	0.77	0.91	0.87	1.07	1.07	1.08	1.03	1.19	0.99	1.06
[C13] PHENYLALANINE	ME646015	0.96	0.94	0.92	0.92	0.64	0.92	0.92	1.02	1.09	1.13	1.13	1.13	1.04	1.00
PHENYLALANINE	ME646170	0.97	0.95	0.89	1.02	0.61	0.89	0.85	0.94	1.05	1.16	1.09	1.24	1.06	0.93
SUCCINATE	ME646192	0.94	0.95	0.98	0.99	0.71	1.12	1.01	1.18	0.84	1.14	1.05	1.04	1.01	0.96
AMINOPENTANOIC ACID	ME646060	0.96	1.12	1.00	1.06	0.75	1.04	0.91	1.12	0.99	1.04	1.00	1.06	0.93	1.02
BOC-ASN-OH	ME646073	1.05	1.05	1.06	0.97	0.86	1.00	0.94	1.01	0.98	1.00	0.97	1.13	0.95	1.04
5-HYDROXYINDOLE-3-ACETIC ACID	ME646050	1.01	1.09	1.09	1.06	0.82	1.02	1.03	1.03	1.00	1.00	0.95	1.05	0.93	0.95
BOC-PHE-OH	ME646076	0.99	1.10	1.12	1.08	0.79	1.03	1.02	1.04	0.99	1.02	0.94	1.05	0.91	0.91
BOC-ALA-OH	ME646071	0.98	1.03	1.11	0.99	0.69	0.96	0.91	1.17	1.01	1.15	1.02	1.11	0.88	0.96
[C13] METHIONINE	ME646014	0.99	0.96	0.96	0.91	0.79	0.95	1.03	1.11	1.06	1.07	1.02	1.04	1.00	1.05
[C13] VALINE	ME646017	0.96	0.96	0.93	0.94	0.80	0.95	1.08	1.17	1.03	1.06	1.08	0.99	0.96	1.08
[C13] TYROSINE	ME646016	1.00	0.97	1.02	0.97	0.75	0.97	1.08	1.09	1.00	1.04	1.07	1.01	0.98	0.96
CREATININE	ME646091	0.97	0.99	1.04	0.98	0.71	0.99	1.01	1.14	0.96	1.07	1.06	1.11	0.94	0.95
2-HYDROXYBUTYRIC ACID	ME646026	0.89	0.71	1.39	1.01	0.69	0.51	0.94	1.32	1.12	1.28	1.45	0.89	0.62	0.64
3-(4-HYDROXYPHENYL)LACTATE	ME646031	0.85	0.61	0.94	0.81	0.58	0.88	0.98	1.56	1.02	1.17	1.13	1.32	1.02	0.69
ISOLEUCINE	ME646129	1.04	1.21	1.21	1.20	0.36	0.59	0.98	1.14	0.72	1.16	1.12	1.19	1.00	0.96
4-METHYL-2-OXO-PENTANOIC ACID	ME646045	1.04	0.96	1.11	1.16	0.54	0.90	0.90	0.98	0.90	1.14	1.17	1.23	0.91	0.81
MALATE	ME646135	1.17	0.85	0.94	1.12	0.60	0.76	0.85	1.07	0.92	1.25	1.28	1.16	0.92	0.71
THYROXINE	ME646196	0.98	0.87	1.05	1.03	0.53	0.91	0.85	0.96	0.98	1.32	1.28	1.08	1.01	0.62
CITRATE	ME646087	0.99	0.72	0.84	0.98	0.51	0.63	0.62	1.17	1.03	1.49	1.51	1.17	0.95	0.61
DEHYDROASCORBATE	ME646098	1.04	0.89	1.04	1.02	0.60	0.61	0.73	1.38	1.06	1.42	1.21	1.18	0.83	0.46
N-ACETYLNEURAMINATE	ME646150	1.30	1.30	1.89	0.62	0.52	1.64	1.16	0.81	0.95	1.05	0.52	0.75	1.20	0.95
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE	ME646034	1.23	1.50	1.51	1.35	0.90	1.21	1.28	0.80	0.46	0.80	0.80	1.06	0.79	0.69
DECANOATE	ME646097	0.58	1.26	1.99	1.62	0.72	1.23	0.99	0.85	0.80	1.19	1.01	0.47	0.83	0.64
GLUTAMIC ACID	ME646112	0.63	0.85	1.07	1.50	1.36	NA	1.04	2.15	0.96	1.21	0.83	0.90	0.93	0.53
HIPPURATE	ME646123	0.60	0.68	0.95	1.02	0.64	0.97	0.06	2.27	1.09	0.97	0.96	1.70	0.89	0.76
BEHENIC ACID	ME646067	0.98	NA	0.69	NA	0.58	0.94	NA	NA	1.01	NA	0.82	1.17	1.65	NA
PIPECOLATE	ME646173	0.83	0.57	NA	NA	NA	0.93	NA	NA	1.55	1.17	0.91	1.14	1.25	0.82
HEXANOATE	ME646121	0.95	NA	1.26	0.87	NA	1.28	NA	0.44	1.53	0.88	1.13	1.24	NA	NA
FORMYL-L-METHIONINE	ME646108	0.61	0.71	NA	1.29	0.57	1.26	0.77	NA	0.84	1.23	1.81	0.89	1.17	NA
HEPTANOIC ACID	ME646119	1.04	NA	NA	1.16	NA	1.20	0.84	NA	1.07	1.04	0.87	0.92	0.74	NA
PYRIDINE-2,3-DICARBOXYLATE	ME646178	1.56	0.82	0.67	0.98	0.76	0.91	NA	0.86	1.20	0.79	1.00	1.25	1.30	NA
17BETA-HYDROXYANDROSTAN-3-ONE	ME646020	1.01	NA	NA	0.85	0.84	NA	NA	1.14	1.06	1.29	1.17	0.90	0.83	NA
ALPHA-KETO-GLUTARATE	ME646057	1.01	NA	0.61	1.38	NA	NA	NA	0.94	0.62	0.94	1.58	1.13	1.18	NA
N-ACETYL-DL-GLUTAMIC ACID	ME646145	NA	NA	1.52	NA	NA	NA	NA	0.70	1.16	1.34	1.22	0.43	0.70	NA
CIS-7,10,13,16-DOCOSATETRAENOIC ACID	ME646086	1.48	0.66	NA	0.60	NA	NA	1.61	NA	0.54	1.19	0.59	1.37	0.75	NA
THYROTROPIN RELEASING HORMONE	ME646195	NA	NA	0.29	0.31	NA	NA	NA	NA	NA	1.68	1.14	1.60	1.13	0.85
DIHEXOSE	ME646103	NA	NA	NA	0.72	0.77	0.62	0.84	0.99	NA	1.30	0.96	0.98	1.30	0.83
2-HYDROXYPHENYLACETIC ACID	ME646027	NA	NA	NA	0.81	NA	NA	0.96	0.81	NA	1.52	1.05	1.12	0.62	NA
4-HYDROXYPHENYLACETATE	ME646044	NA	NA	NA	0.81	NA	NA	0.96	0.81	NA	1.53	1.05	1.08	0.68	NA

Factors:

F1	Group:Control \| Visit:1
F2	Group:Control \| Visit:2
F3	Group:Control \| Visit:3
F4	Group:Control \| Visit:4
F5	Group:Control \| Visit:5
F6	Group:Control \| Visit:6
F7	Group:Control \| Visit:7
F8	Group:NAFLD \| Visit:1
F9	Group:NAFLD \| Visit:2
F10	Group:NAFLD \| Visit:3
F11	Group:NAFLD \| Visit:4
F12	Group:NAFLD \| Visit:5
F13	Group:NAFLD \| Visit:6
F14	Group:NAFLD \| Visit:7

Data matrix