Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolic features of chronic fatigue syndrome (Study ST000450)

HILIC NEGATIVE ION MODE (Analysis AN000706)

Metabolite	Structure	F1	F2	F3	F4
PI(16:0/16:0)	ME151746	0.58	NA	1.46	NA
15-HETE	ME151627	1.04	NA	0.95	NA
Adipic acid	ME151645	0.97	NA	1.04	NA
2-Isopropylmalic acid	ME151632	1.02	NA	0.98	NA
Xanthurenic acid	ME151826	1.01	NA	0.98	NA
Hexose Monophosphate Pool	ME151694	1.00	NA	1.00	NA
Tetranor-PGFM	ME151819	1.00	NA	1.00	NA
Guanine	ME151690	0.98	NA	1.02	NA
Phosphoenolpyruvic acid	ME151766	0.99	NA	1.01	NA
Cobalamin	ME151668	0.89	NA	1.12	NA
PG(32:1)	ME151743	0.84	NA	1.17	NA
p-Aminobenzoic acid	ME151828	1.44	0.32	1.81	0.32
Fumaric acid	ME151677	1.73	0.18	1.75	0.20
Ketoleucine	ME151703	1.62	0.22	1.80	0.24
4-Pyridoxic acid	ME151643	0.90	1.33	1.23	0.46
PG(34:1)	ME151745	1.17	0.68	1.34	0.78
Citraconic acid	ME151664	1.15	0.80	1.20	0.82
Glutaconic acid	ME151683	1.14	0.77	1.27	0.79
Glucaric acid	ME151679	1.31	0.69	1.22	0.73
Docosahexaenoic acid	ME151675	1.25	0.87	1.12	0.70
Glyoxylic acid	ME151689	1.31	0.78	1.14	0.71
N-acetylserine	ME151719	1.29	0.79	1.09	0.79
Benzoic acid	ME151652	1.44	0.48	1.47	0.52
4-Hydroxybenzoic acid	ME151641	1.41	0.65	1.25	0.61
Nicotinic acid	ME151720	1.36	0.57	1.37	0.62
Quinolinic Acid	ME151773	1.33	0.61	1.36	0.64
6-Phosphogluconic acid	ME151834	NA	1.13	NA	0.85
14,15-DHET	ME151831	NA	0.93	NA	1.09
Dehydroisoandrosterone 3-sulfate	ME151837	NA	0.93	NA	1.08
Folic acid	ME151839	NA	0.93	NA	1.08
PI(30:1)	ME151844	NA	0.98	NA	1.03
5-HETE	ME151833	NA	0.96	NA	1.05
Thymidine	ME151846	NA	0.96	NA	1.05
11,12-DiHETrE	ME151830	NA	1.00	NA	1.00
14,15-Epoxy-5,8,11-eicosatrienoic acid	ME151832	NA	0.99	NA	1.01
Acetoacetic acid	ME151836	NA	1.01	NA	0.99
Acetic acid	ME151835	NA	1.02	NA	0.98
Deoxyribose phosphate	ME151838	NA	1.02	NA	0.98
N-Acetyl-glucosamine 1-phosphate	ME151841	NA	1.07	NA	0.92
PA(30:1)	ME151842	NA	1.05	NA	0.94
Sedoheptulose monophosphate	ME151845	NA	1.05	NA	0.94
Inosine triphosphate	ME151840	NA	1.04	NA	0.95
PGF2alpha	ME151843	NA	1.04	NA	0.96
13S-hydroxyoctadecadienoic acid	ME151626	0.77	1.60	0.46	1.19
Chenodeoxyglycocholic acid	ME151662	0.48	1.77	0.47	1.35
Glycocholic acid	ME151687	0.56	1.67	0.57	1.25
Behenic acid	ME151651	0.55	1.16	0.65	1.78
PS(36:2)	ME151762	0.48	1.37	0.48	1.83
12-HETE	ME151625	0.49	1.29	0.67	1.67
SM(d18:1/24:0)	ME151802	0.48	1.35	0.61	1.68
PA(16:0/16:0)	ME151726	0.50	1.30	0.60	1.73
SM(d18:1/24:2 OH)	ME151804	0.47	1.33	0.59	1.75
PI(32:2)	ME151747	0.38	1.61	0.52	1.60
SM(d18:1/24:1)	ME151803	0.38	1.57	0.48	1.71
SM(d18:1/22:0 OH)	ME151795	0.54	1.40	0.53	1.65
SM(d18:1/25:0) or SM(d18:1/24:1 OH)	ME151805	0.52	1.39	0.54	1.68
SM(d18:1/26:0)	ME151807	0.53	1.48	0.50	1.61
SM (d18:1/26:1)	ME151777	0.52	1.47	0.49	1.62
SM(d18:1/26:1 OH)	ME151808	0.58	1.42	0.50	1.61
SM(d18:1/26:2)	ME151810	0.59	1.41	0.53	1.57
11-HETE	ME151624	0.51	1.56	0.50	1.52
SM(d18:1/24:0 OH)	ME151801	0.55	1.49	0.54	1.52
SM(d18:1/26:2 OH)	ME151809	0.58	1.50	0.52	1.49
D-Glyceraldehyde 3-phosphate	ME151670	0.60	1.54	0.53	1.40
PI(34:2)	ME151750	0.58	1.46	0.61	1.44
Taurochenodesoxycholic acid	ME151815	0.77	1.48	0.68	1.09
Taurodeoxycholic acid	ME151817	0.81	1.44	0.67	1.08
CL(18:2/18:2/18:1/18:1)	ME151655	0.76	1.47	0.61	1.19
Lipoic acid	ME151712	0.67	1.49	0.68	1.19
Aminoadipic acid	ME151647	0.67	1.41	0.54	1.46
S-Adenosylhomocysteine	ME151774	0.71	1.40	0.56	1.38
PI(36:2)	ME151753	0.68	1.48	0.60	1.29
PA(18:0/16:1)	ME151730	0.63	1.41	0.64	1.39
Oxalic acid	ME151724	0.66	1.44	0.63	1.32
PA(16:0/16:1)	ME151727	0.67	1.40	0.65	1.34
CL(18:2/18:2/18:2/22:6)	ME151660	0.77	1.37	0.68	1.21
PE(36:2)	ME151739	0.78	1.35	0.71	1.20
Gluconic acid	ME151680	0.82	1.29	0.65	1.28
CL(18:2/18:2/18:2/18:2)	ME151658	0.78	1.31	0.69	1.26
Gamma-glutamyl-Alanine	ME151678	0.77	1.31	0.69	1.27
PA(16:1/18:1)	ME151729	0.74	1.40	0.65	1.25
PA(18:1/18:1)	ME151732	0.71	1.35	0.66	1.33
CL(18:2/18:1/18:1/20:4)	ME151653	0.71	1.38	0.66	1.30
CL(18:2/18:2/18:2/18:1)	ME151657	0.72	1.38	0.65	1.30
PA(16:1/16:1)	ME151728	0.71	1.34	0.72	1.28
SM(d18:1/18:0 OH)	ME151783	0.66	1.32	0.74	1.34
Hexose Disaccharide Pool	ME151693	0.83	1.26	0.63	1.34
SM(d18:1/20:0 OH)	ME151789	0.71	1.29	0.67	1.39
Plasmalogen(20:4/p18:1)	ME151767	0.72	1.24	0.70	1.40
SM (d18:1/16:1)	ME151775	0.74	1.25	0.71	1.37
Deoxycholic acid	ME151673	0.72	1.12	0.67	1.59
PI(36:0)	ME151751	0.57	1.30	0.76	1.47
PI(38:3)	ME151755	0.59	1.25	0.78	1.48
SM (d18:1/24:2)	ME151776	0.59	1.37	0.69	1.43
CL(18:2/18:2/18:2/20:4)	ME151659	0.61	1.34	0.74	1.39
PI(36:1)	ME151752	0.58	1.33	0.75	1.42
PA(18:0/18:1)	ME151731	0.67	1.34	0.65	1.41
SM(d18:1/16:2 OH)	ME151781	0.64	1.34	0.69	1.40
PI(38:5)	ME151757	0.66	1.30	0.68	1.44
SM(d18:1/18:1 OH)	ME151785	0.61	1.31	0.71	1.47
SM(d18:1/20:1 OH)	ME151791	0.63	1.31	0.72	1.43
SM(d18:1/20:2 OH)	ME151793	0.63	1.26	0.67	1.53
2-Methylcitric acid	ME151636	0.66	1.17	0.78	1.48
PI(38:4)	ME151756	0.62	1.18	0.77	1.53
Xanthine	ME151824	0.71	1.19	0.69	1.49
PI(40:5)	ME151758	0.63	1.27	0.77	1.42
SM(d18:1/16:1 OH)	ME151780	0.69	1.23	0.75	1.42
SM(d18:1/16:0 OH)	ME151778	0.68	1.22	0.74	1.45
SM(d18:1/18:2 OH)	ME151787	0.66	1.23	0.73	1.47
PI(34:0)	ME151748	0.53	1.33	0.70	1.56
PI(34:1)	ME151749	0.50	1.35	0.66	1.60
Gluconolactone	ME151681	0.60	1.41	0.58	1.50
Uric acid	ME151822	0.57	1.39	0.59	1.56
SM(d18:1/22:2 OH)	ME151798	0.58	1.34	0.62	1.55
SM(d18:1/26:0 OH)	ME151806	0.60	1.31	0.63	1.57
20-Hydroxyeicosatetraenoic acid	ME151639	0.56	1.36	0.66	1.51
Cholesteryl sulfate	ME151663	0.60	1.34	0.66	1.49
PE(32:2)	ME151735	0.53	1.19	0.81	1.58
PI(36:4)	ME151754	0.58	1.26	0.66	1.61
SM(d18:1/23:0) or SM(d18:1/22:1 OH)	ME151800	0.58	1.29	0.60	1.66
SM(d18:1/22:0)	ME151796	0.56	1.20	0.70	1.67
SM(d18:1/22:1)	ME151797	0.57	1.24	0.74	1.56
SM(d18:1/22:2)	ME151799	0.53	1.26	0.72	1.62
2-Hydroxy-3-methylbutyric acid	ME151630	0.73	0.88	1.30	1.15
PG(32:2)	ME151744	0.67	0.84	1.35	1.21
Eicosapentaenoic acid	ME151676	1.12	1.23	0.74	0.87
3-methylphenylacetic acid	ME151640	1.13	1.12	0.77	0.96
PE (18:0/18:0)	ME151733	1.15	1.08	0.85	0.89
Indoleacrylic acid	ME151701	1.00	1.02	1.11	0.85
Arachidonic Acid	ME151648	1.06	0.80	1.11	1.04
Linoleic acid	ME151711	1.04	0.90	1.13	0.92
D-Ribose 5-phosphate	ME151671	1.12	0.91	1.05	0.91
Oleic acid	ME151722	1.15	0.89	1.08	0.85
p-Hydroxyphenylacetic acid	ME151829	1.12	0.84	1.09	0.94
Pyroglutamic acid	ME151770	1.13	0.84	1.02	1.00
SM(d18:1/20:0)	ME151790	0.79	1.06	1.04	1.15
Androsterone sulfate	ME151811	0.87	1.00	1.12	1.03
Lignoceric acid	ME151710	0.89	0.93	1.11	1.10
Myoinositol	ME151716	0.90	0.97	1.06	1.10
2-Pyrocatechuic acid	ME151637	1.01	0.92	0.94	1.15
Malic acid	ME151714	0.97	0.99	0.90	1.16
PE(38:5)	ME151742	0.93	0.97	0.92	1.22
PE(38:4)	ME151741	0.92	0.85	1.05	1.23
PE(32:1)	ME151734	0.88	0.90	1.05	1.22
SM(d18:1/20:2)	ME151794	0.87	0.93	1.02	1.23
Deoxyguanosine	ME151674	0.86	0.97	0.96	1.27
PE(34:2)	ME151737	0.83	1.02	0.98	1.21
Hippuric acid	ME151696	1.04	1.14	0.94	0.84
L-Threonine	ME151709	0.95	1.14	0.94	0.96
Glucosamine 6-phosphate	ME151682	1.05	1.08	0.87	0.99
Glyceric acid	ME151685	1.02	1.07	0.92	0.98
AICAR	ME151644	1.01	1.04	0.88	1.07
Glycerol 3-phosphate	ME151686	1.07	1.02	0.83	1.08
Phenylpropiolic acid	ME151765	1.07	1.00	0.97	0.95
2-deoxyglucose-6-phosphate	ME151638	1.03	0.97	1.03	0.97
2-Ketobutyric acid	ME151634	1.06	0.96	1.01	0.96
2-Ketohexanoic acid	ME151635	0.88	1.02	0.99	1.13
Oxaloacetic acid	ME151725	0.91	1.03	0.99	1.08
Succinic acid	ME151813	0.93	1.01	0.97	1.12
Glycolic acid	ME151688	0.98	1.02	0.96	1.05
Homovanillic acid	ME151698	1.01	1.01	0.95	1.03
2,3-Diphosphoglyceric acid	ME151628	0.95	1.02	1.00	1.03
Glyceraldehyde	ME151684	0.98	1.01	1.00	1.02
Pyruvic acid	ME151772	0.99	1.02	0.98	1.01
L-Homocysteic acid	ME151707	1.01	0.97	0.97	1.06
Taurine	ME151814	0.99	0.99	0.93	1.10
Arginine	ME151649	0.97	1.24	0.81	0.96
Pantothenic acid	ME151763	0.90	1.38	0.75	0.95
2-Aminobenzoic acid	ME151629	0.74	1.28	0.95	1.05
Taurocholic acid	ME151816	0.74	1.45	0.82	1.00
Phenyllactic acid	ME151764	0.65	1.15	0.99	1.27
Hydroxyisocaproic acid	ME151699	0.72	1.01	1.00	1.34
PE(34:1)	ME151736	0.76	0.95	1.10	1.25
SM(d18:1/18:1)	ME151786	0.76	1.14	0.85	1.31
Uridine	ME151823	0.80	1.12	0.81	1.33
Xanthosine	ME151825	0.79	1.15	0.80	1.33
L-Cystine	ME151706	0.80	1.14	0.83	1.29
Orotic acid	ME151723	0.82	1.16	0.80	1.27
SM(d18:1/16:2)	ME151782	0.74	1.26	0.76	1.29
2-Keto-L-gluconate	ME151633	0.78	1.25	0.74	1.27
SM(d18:1/18:2)	ME151788	0.78	1.24	0.72	1.31
L-Lactic acid	ME151708	0.75	1.15	0.76	1.40
Citric acid	ME151666	0.80	1.19	0.70	1.37
Dehydroascorbic acid	ME151672	0.81	1.19	0.71	1.35
Citramalic acid	ME151665	0.77	1.19	0.77	1.32
Guanosine	ME151691	0.79	1.18	0.76	1.33
4-Hydroxyphenyllactic acid	ME151642	0.72	1.09	0.80	1.49
SM(d18:1/16:0)	ME151779	0.67	1.10	0.90	1.42
SM(d18:1/20:1)	ME151792	0.71	1.08	0.92	1.36
PE(36:1)	ME151738	0.64	1.21	0.85	1.38
SM(d18:1/18:0)	ME151784	0.69	1.15	0.83	1.41
L-Aspartic acid	ME151705	0.88	1.28	0.69	1.16
Plasmalogen(p16:0/20:4)	ME151768	0.99	1.08	0.78	1.17
Hexose Pool	ME151695	0.90	1.09	0.90	1.13
Inosine_neg	ME151702	0.92	1.10	0.89	1.10
Citrulline	ME151667	0.88	1.13	0.85	1.17
Cortisone	ME151669	0.83	1.12	0.91	1.18
Uracil	ME151820	0.83	1.12	0.90	1.19
Methylmalonic acid	ME151715	0.85	1.12	0.91	1.15
Octulose-monophosphate	ME151721	0.87	1.13	0.88	1.15
2-Hydroxyglutarate	ME151631	0.86	1.10	0.84	1.24
Hypoxanthine	ME151700	0.88	1.09	0.85	1.22
Maleic acid	ME151713	0.88	1.08	0.85	1.22
CL(18:2/18:2/18:2/16:1)	ME151656	0.85	1.18	0.77	1.24
N-Acetyl-L-aspartic acid	ME151717	0.86	1.16	0.79	1.23
Allantoic acid	ME151646	0.90	1.15	0.78	1.21
Ureidosuccinic acid	ME151821	0.89	1.13	0.81	1.21
N-Acetylaspartylglutamic acid	ME151718	0.86	1.20	0.80	1.16
Shikimate-3-phosphate	ME151812	0.84	1.18	0.84	1.17
PE(36:3)	ME151740	0.81	1.24	0.83	1.14
Plasmalogen(p18:0/20:4)	ME151769	0.86	1.25	0.79	1.12
Azelaic acid	ME151650	0.72	1.20	0.90	1.23
Kynurenic acid	ME151704	0.78	1.19	0.91	1.16
CL(18:2/18:2/16:1/16:1)	ME151654	0.77	1.22	0.84	1.21
Homogentisic acid	ME151697	0.79	1.18	0.87	1.20
Chenodeoxycholic acid	ME151661	0.31	2.02	0.61	1.09
PS(36:0)	ME151761	0.48	1.23	0.49	1.97
PS(18:0/18:1)	ME151759	0.42	1.31	0.40	2.07
PS(18:0/20:4)	ME151760	0.47	1.34	0.34	2.03
cis-aconitic acid	ME151827	0.26	2.06	0.21	1.58
Hexose Diphosphate Pool	ME151692	0.25	1.94	0.24	1.69
Pyrophosphate	ME151771	0.27	1.76	0.29	1.83
Tetranor-PGEM	ME151818	0.19	1.89	0.19	1.91

Factors:

F1	Disease:CFS \| gender:Female
F2	Disease:CFS \| gender:Male
F3	Disease:Normal \| gender:Female
F4	Disease:Normal \| gender:Male

Data matrix