Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003178)

(Analysis AN005217)

Metabolite	Structure	F1	F2	F3	F4
hydroxybupropion	ME829941	NA	NA	1.76	0.24
1,3-propanediol	ME829934	0.59	0.87	0.54	2.42
X-12127	ME830023	0.69	1.18	NA	1.81
betonicine	ME829974	2.03	0.58	0.49	0.61
homostachydrine*	ME829960	0.61	0.68	1.63	1.40
pipecolate	ME829904	0.82	1.78	0.70	0.60
dimethyl sulfone	ME829990	1.19	1.64	0.52	0.48
N6-methyllysine	ME829987	1.02	1.78	0.67	0.32
N6,N6-dimethyllysine	ME830013	1.11	1.04	0.74	NA
X-23639	ME830033	1.58	0.90	0.70	0.66
stachydrine	ME829940	1.54	1.13	0.72	0.37
3-hydroxystachydrine*	ME830007	1.62	1.02	0.60	0.31
N-ethylglycinexylidide	ME829958	1.66	1.06	0.63	0.49
X-25217	ME830045	1.47	1.00	0.31	0.71
argininate*	ME829980	1.39	1.32	0.53	0.55
X-25271	ME830046	1.22	1.31	0.19	0.46
caffeine	ME829900	1.64	0.46	0.52	1.18
cyclo(leu-pro)	ME829970	1.34	0.85	0.75	1.03
trigonelline (N^-methylnicotinate)	ME829929	1.50	0.96	0.48	1.01
7-methylxanthine	ME829946	1.27	0.73	1.09	0.75
X-24736	ME830043	1.44	0.71	0.93	0.78
hypotaurine	ME829878	1.04	0.78	1.30	0.52
theobromine	ME829923	1.10	0.84	1.32	0.59
cystathionine	ME829875	1.08	0.99	1.14	0.57
X-25109	ME830044	1.01	1.08	1.09	0.74
S-allylcysteine	ME829992	0.98	1.04	0.65	1.27
isovalerylcarnitine (C5)	ME829945	0.81	1.24	0.59	1.28
X-23587	ME830031	0.89	1.17	0.59	1.31
N-acetylcarnosine	ME829989	0.58	1.22	0.53	1.39
trimethylamine N-oxide	ME829986	0.74	1.33	0.59	1.53
cysteine-glutathione disulfide	ME829950	0.88	0.92	1.04	1.21
1-methylnicotinamide	ME829859	1.11	0.82	0.79	1.39
X-16580	ME830028	1.03	0.90	0.90	1.27
X-23644	ME830034	1.03	0.80	0.97	1.32
cysteinylglycine	ME829874	0.98	1.01	1.02	0.99
kynurenate	ME829860	1.04	0.93	0.98	1.02
pyridoxal	ME829887	1.08	0.92	0.94	1.06
beta-alanine	ME829871	1.19	0.92	0.93	0.95
X-24520	ME830041	1.16	0.88	0.93	0.91
glycerophosphoethanolamine	ME829965	1.07	0.88	1.13	0.88
homocarnosine	ME829857	1.13	0.88	1.09	0.84
3-amino-2-piperidone	ME830012	1.05	0.98	1.04	0.90
X-14056	ME830027	1.11	0.92	1.02	0.92
2-oxoarginine*	ME829981	1.10	1.27	0.72	0.86
X-12680	ME830024	1.03	1.35	0.71	0.88
tiglylcarnitine (C5:1-DC)	ME829963	1.06	1.26	0.65	1.04
indoleacetate	ME829927	1.07	1.17	0.72	1.05
dimethylglycine	ME829897	1.10	1.19	0.71	1.00
gamma-glutamyltyrosine	ME829907	1.06	1.20	0.70	1.02
gamma-glutamylisoleucine*	ME829953	0.98	1.19	0.76	0.98
betaine	ME829895	1.07	1.14	0.77	1.03
succinylglutamine	ME830002	1.02	1.19	0.78	1.01
5-(galactosylhydroxy)-L-lysine	ME829977	1.03	1.17	0.77	1.05
5-methylthioribose**	ME829973	1.00	1.20	0.76	1.06
gamma-glutamylcitrulline*	ME830010	1.04	1.13	0.76	0.94
N1-methylinosine	ME829947	1.10	1.11	0.81	0.96
tyrosine	ME829899	1.10	1.14	0.80	0.93
gamma-glutamylmethionine	ME829943	1.09	1.18	0.75	0.96
S-1-pyrroline-5-carboxylate	ME829856	1.14	1.17	0.74	0.91
valine	ME829894	1.08	1.22	0.76	0.91
X-11787	ME830019	1.11	1.20	0.75	0.89
N,N,N-trimethyl-5-aminovalerate	ME830005	1.08	1.18	0.80	0.90
X-12100	ME830021	1.07	1.18	0.80	0.91
N-acetylarginine	ME829939	1.05	1.20	0.81	0.91
N-acetylputrescine	ME829864	1.03	1.20	0.82	0.92
N6,N6,N6-trimethyllysine	ME829863	1.02	1.24	0.79	0.92
choline phosphate	ME829872	1.02	1.23	0.78	0.96
N-acetyl-isoputreanine	ME830014	1.02	1.21	0.80	0.96
3-methylglutarylcarnitine (2)	ME829996	0.99	1.30	0.73	0.97
X-24422	ME830040	0.94	1.37	0.73	0.96
X-23739	ME830036	0.91	1.28	0.85	0.95
C-glycosyltryptophan	ME829997	0.97	1.24	0.83	0.94
urea	ME829889	0.98	1.26	0.78	0.96
X-24728	ME830042	0.95	1.31	0.79	0.94
N,N-dimethyl-pro-pro	ME830017	0.95	1.28	0.81	0.95
X-12689	ME830025	0.95	1.28	0.81	0.95
beta-hydroxyisovaleroylcarnitine	ME829962	0.95	1.21	0.81	1.05
hydroxyasparagine**	ME830008	0.97	1.20	0.81	1.03
glycerol 3-phosphate	ME829920	0.91	1.22	0.87	1.01
carnitine	ME829917	0.96	1.20	0.84	1.00
X-10457	ME830018	0.94	1.24	0.83	0.99
acetylcarnitine (C2)	ME829925	0.94	1.22	0.78	1.10
deoxycarnitine	ME829966	0.96	1.25	0.78	1.03
succinylcarnitine (C4-DC)	ME829971	0.96	1.27	0.74	1.04
gamma-glutamylglutamine	ME829908	0.96	1.13	0.92	1.00
aspartate	ME829870	0.98	1.12	0.93	0.96
N-acetylglutamine	ME829936	0.98	1.11	0.95	0.94
5,6-dihydrothymine	ME829861	1.01	1.15	0.88	0.94
glutamine	ME829892	0.98	1.17	0.88	0.95
X-25936	ME830048	0.99	1.17	0.89	0.93
X-24228	ME830037	0.98	1.20	0.85	0.96
citrulline	ME829880	0.99	1.20	0.86	0.93
isoleucine	ME829879	1.01	1.19	0.86	0.92
spermidine	ME829858	1.00	1.19	0.86	0.92
N6-carbamoylthreonyladenosine	ME829949	1.05	1.14	0.85	0.94
lysine	ME829882	1.03	1.10	0.88	0.99
1-ribosyl-imidazoleacetate*	ME829967	0.99	1.15	0.87	0.99
cysteinylglycine disulfide*	ME829978	1.00	1.15	0.86	0.99
creatinine	ME829873	1.02	1.13	0.86	0.98
leucine	ME829881	1.02	1.15	0.85	0.98
2^-deoxycytidine	ME829919	1.06	1.09	0.97	0.81
histidine	ME829877	0.99	1.17	0.93	0.86
ornithine	ME829883	0.99	1.16	0.95	0.86
N-acetylglucosaminylasparagine	ME829909	1.00	1.12	0.97	0.86
adipoylcarnitine (C6-DC)	ME829999	1.00	1.12	0.96	0.90
cysteine	ME829896	1.02	1.12	0.93	0.88
arginine	ME829867	1.02	1.12	0.90	0.94
phenylalanine	ME829884	1.01	1.13	0.91	0.91
fructosyllysine	ME829995	1.05	1.10	0.92	0.91
dimethylarginine (SDMA + ADMA)	ME829969	1.04	1.13	0.89	0.91
nicotinamide riboside	ME829942	1.04	1.12	0.91	0.89
uridine	ME829890	1.08	1.10	0.90	0.88
X-23593	ME830032	1.06	1.12	0.92	0.85
5-methylcytidine	ME829924	1.08	1.13	0.88	0.86
adenine	ME829901	1.06	1.14	0.89	0.86
gamma-glutamyl-2-aminobutyrate	ME829954	1.06	1.05	0.85	1.00
malonylcarnitine	ME829956	1.03	0.99	0.89	1.05
N2,N2-dimethylguanosine	ME829948	1.15	1.07	0.81	0.93
N1-methyladenosine	ME829913	1.15	1.04	0.85	0.92
ascorbate (Vitamin C)	ME829869	1.13	1.05	0.85	0.94
choline	ME829914	1.12	1.06	0.84	0.96
hypoxanthine	ME829862	1.11	0.99	0.93	0.94
glycine	ME829876	1.09	1.06	0.92	0.88
serine	ME829888	1.09	1.03	0.95	0.88
7-methylguanine	ME829951	1.07	1.07	0.89	0.95
guanosine	ME829906	1.09	1.07	0.89	0.92
alanine	ME829898	1.04	1.07	0.92	0.95
glutamate	ME829891	1.06	1.06	0.93	0.91
2^-O-methylcytidine	ME830003	1.09	1.17	0.93	0.72
threonine	ME829893	1.03	1.21	0.89	0.81
X-26008	ME830050	1.02	1.22	0.93	0.76
gamma-glutamylthreonine	ME829944	0.86	1.31	0.91	0.91
(N(1) + N(8))-acetylspermidine	ME830006	0.99	1.29	0.83	0.86
X-23666	ME830035	0.96	1.28	0.81	0.83
N-acetylglucosamine/N-acetylgalactosamine	ME829998	0.99	1.23	0.87	0.88
argininosuccinate	ME829868	1.04	1.24	0.83	0.84
hydroxy-N6,N6,N6-trimethyllysine*	ME830016	1.00	1.26	0.86	0.83
asparagine	ME829902	0.96	1.20	0.92	0.89
N-acetylasparagine	ME829937	0.94	1.21	0.95	0.86
tryptophan betaine	ME829968	0.92	1.28	0.88	0.87
diacetylspermidine*	ME830011	0.95	1.24	0.90	0.88
glutamate, gamma-methyl ester	ME829930	0.92	1.24	0.89	0.91
carboxyethyl-GABA	ME829985	1.06	1.07	0.79	1.12
anthranilate	ME829915	0.88	1.13	0.90	1.14
cys-gly, oxidized	ME829911	0.95	1.08	0.96	1.03
homoarginine	ME829926	0.91	1.08	0.97	1.06
gamma-glutamyl-alpha-lysine	ME830004	0.97	1.13	0.87	1.05
gamma-glutamylhistidine	ME829912	0.95	1.09	0.91	1.08
phosphate	ME829885	1.00	1.05	0.90	1.08
methylsuccinoylcarnitine	ME830001	0.79	1.23	0.88	1.18
3-ureidopropionate	ME829905	0.92	1.18	0.76	1.21
acetoacetate	ME829910	0.93	1.13	0.84	1.28
X-25790	ME830047	1.09	1.29	0.89	0.61
X-11795	ME830020	1.32	1.02	0.97	0.51
N-methylproline	ME829972	1.27	1.07	0.81	0.59
S-methylcysteine sulfoxide	ME829984	1.40	1.13	0.72	0.59
ergothioneine	ME829975	1.27	1.08	0.62	0.95
lidocaine	ME829957	1.25	1.15	0.70	0.81
X-23583	ME830030	1.17	1.17	0.65	0.78
kynurenine	ME829922	1.19	1.15	0.78	0.81
5-methylthioadenosine (MTA)	ME829865	1.11	1.18	0.82	0.83
imidazole lactate	ME829921	1.14	1.11	0.85	0.82
2-aminoheptanoate	ME829993	1.13	1.16	0.84	0.79
N6-methyladenosine	ME829866	1.12	1.13	0.85	0.77
3-methoxytyrosine	ME829916	1.15	1.08	0.94	0.74
3-methylcytidine	ME829952	1.16	0.99	0.92	0.78
X-13684	ME830026	1.16	1.07	0.89	0.81
4-hydroxybutyrate (GHB)	ME829955	1.21	1.02	0.89	0.79
X-24411	ME830039	1.22	1.07	0.91	0.79
1-methyl-4-imidazoleacetate	ME829935	1.31	0.94	0.80	0.88
methionine sulfone	ME829994	1.31	0.98	0.88	0.71
X-25983	ME830049	1.27	0.95	0.87	0.83
N-acetyl-aspartyl-glutamate (NAAG)	ME829964	1.29	1.00	0.83	0.78
X-12101	ME830022	1.27	1.00	0.84	0.79
proline	ME829886	1.36	1.01	0.70	0.85
X-22162	ME830029	1.26	1.07	0.77	0.83
4-guanidinobutanoate	ME829918	0.97	1.42	0.49	0.72
equol glucuronide	ME829988	1.00	1.22	0.58	0.76
N-acetyl-3-methylhistidine*	ME829976	0.86	1.54	0.59	1.05
1-methyl-5-imidazoleacetate	ME829983	0.82	1.69	0.58	0.90
glutarylcarnitine (C5-DC)	ME829961	0.76	1.62	0.63	0.93
glutamine_degradant*	ME829959	0.85	1.46	0.71	0.99
pro-hydroxy-pro	ME829933	0.85	1.40	0.72	1.07
propionylcarnitine (C3)	ME829932	0.91	1.30	0.70	1.13
gamma-glutamyl-epsilon-lysine	ME829938	0.94	1.34	0.65	1.10
gamma-glutamylvaline	ME829931	0.98	1.31	0.63	1.12
N,N,N-trimethyl-alanylproline betaine (TMAP)	ME830009	0.92	1.40	0.62	1.10
isobutyrylcarnitine (C4)	ME829928	0.95	1.43	0.61	1.02
picolinate	ME829903	0.92	1.36	0.60	1.00
N2-acetyl,N6-methyllysine	ME830015	0.84	1.43	0.66	0.82
2-piperidinone	ME829991	0.99	1.46	0.64	0.87
X-24408	ME830038	0.95	1.48	0.57	0.94

Factors:

F1	Sample source:CSF \| MECFS_STATUS:Healthy volunteer \| SEX:F
F2	Sample source:CSF \| MECFS_STATUS:Healthy volunteer \| SEX:M
F3	Sample source:CSF \| MECFS_STATUS:MECFS \| SEX:F
F4	Sample source:CSF \| MECFS_STATUS:MECFS \| SEX:M

Data matrix