Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001759)

(Analysis AN002866)

Metabolite	Structure	F1	F2	F3	F4
GSH	ME407101	0.00	1.53	2.47	0.00
thiamine	ME407187	NA	1.01	0.99	NA
UTP	ME407203	NA	0.33	1.67	NA
Coenzyme A	ME407057	NA	0.62	1.38	NA
N-acetylcysteine	ME407138	NA	0.68	1.32	NA
glycerate	ME407095	0.63	2.41	0.39	0.75
aspartate-13C6-15N4	ME407038	0.54	2.02	0.89	0.79
glutamate-13C5,15N	ME407092	0.63	1.75	0.92	0.90
GSH Ellmans	ME407103	0.59	NA	NA	1.61
Pyridoxal	ME407172	1.07	NA	0.49	1.27
dTTP	ME407075	0.64	0.25	0.59	1.95
Fructose 1,6-bisphosphate	ME407083	0.80	0.33	0.57	2.38
adenosine	ME407020	0.90	0.80	0.24	2.12
arginine-13C6,15N4	ME407033	0.68	1.39	0.41	1.68
arginine	ME407032	0.71	0.91	0.60	1.92
NADPH	ME407147	0.70	1.13	0.62	1.70
GTP	ME407106	NA	NA	0.95	1.11
Alpha-Ketoglutarate	ME407028	1.04	0.22	1.36	1.38
biotin	ME407043	0.88	0.10	1.40	1.32
ascorbate	ME407035	0.64	0.06	1.84	1.82
2-hydroxyglutarate	ME407000	0.74	0.24	1.67	1.49
Itaconic Acid	ME407122	0.76	0.15	1.67	1.54
alanine-13C3-15N	ME407026	0.97	1.20	0.80	0.96
pyruvate	ME407173	1.06	1.08	0.86	0.99
serine-13C3-15N	ME407183	0.98	1.14	0.92	0.96
GSSG	ME407105	0.73	0.99	1.99	0.43
hypotaurine	ME407115	0.67	0.87	1.85	0.78
uridine	ME407202	0.63	1.02	1.78	0.76
Butyrylcarnitine	ME407044	0.64	1.05	1.63	0.86
orotate	ME407152	0.73	0.89	1.61	0.84
palmitate	ME407153	0.62	0.67	1.73	1.17
niacinamide	ME407148	0.77	0.59	1.59	1.18
phosphoenolpyruvate	ME407161	0.70	0.58	1.59	1.13
cis-aconitate	ME407053	0.81	0.43	1.81	0.90
citrate	ME407054	0.56	0.51	1.82	1.01
carnosine	ME407049	0.95	0.81	0.98	1.26
CDP	ME407050	1.01	0.84	1.12	1.05
argininosuccinate	ME407034	0.83	0.56	1.32	1.29
cAMP	ME407046	0.81	0.62	1.37	1.25
acetylmethionine	ME407017	1.06	0.56	1.20	1.18
p-aminobenzoate	ME407154	1.03	0.67	1.24	1.06
aspartate	ME407037	0.65	1.32	1.31	0.90
xanthine	ME407206	0.70	1.30	1.29	0.86
GDP	ME407088	0.65	1.36	1.12	1.04
taurine	ME407186	0.65	1.28	1.20	1.05
phenylalanine-13C9-15N	ME407158	0.76	1.11	1.01	1.24
histidine-13C6-15N3	ME407111	0.64	1.18	1.13	1.23
threonine-13C4-15N	ME407189	0.68	1.14	1.16	1.18
lysine-13C6-15N2	ME407129	0.68	1.24	1.08	1.15
tyrosine-13C9-15N	ME407195	0.70	1.22	1.10	1.13
proline-13C5-15N	ME407168	0.67	1.22	1.12	1.15
valine-13C5-15N	ME407205	0.68	1.20	1.10	1.18
leucine-13C6-15N	ME407127	0.73	1.24	0.99	1.17
glyceraldehyde 3-phosphate	ME407094	0.73	1.15	1.05	1.13
Isoleucine-13C6-15N	ME407121	0.73	1.22	1.05	1.14
methionine-13C5-15N	ME407134	0.75	1.20	1.03	1.14
S-Adenosyl-L-methionine	ME407179	0.76	1.00	1.32	1.05
xanthosine	ME407207	0.70	1.05	1.42	0.98
Methionine sulfoxide	ME407133	0.71	1.06	1.15	1.15
trans-urocanic acid	ME407191	0.71	1.09	1.22	1.18
F6P G1P	ME407078	0.70	1.05	1.24	1.16
Glucose 6-phosphate	ME407090	0.70	1.05	1.24	1.16
glucose	ME407089	0.67	1.17	1.31	1.02
erythrose 4-phosphate	ME407077	0.68	1.09	1.27	1.12
pseudouridine	ME407171	0.69	1.12	1.30	1.06
glutamate	ME407091	0.70	1.11	1.28	1.07
uric acid	ME407201	0.69	1.12	1.27	1.07
ADP	ME407021	0.68	1.05	1.15	1.28
phosphocreatine	ME407160	0.67	1.00	1.18	1.31
acetylserine	ME407018	0.67	0.95	1.38	1.17
Sedoheptulose-7-phosphate	ME407181	0.69	0.97	1.33	1.16
dihydroxyacetone phosphate	ME407072	0.63	1.03	1.31	1.22
NADH	ME407145	0.67	0.96	1.27	1.27
UMP	ME407199	0.69	0.94	1.31	1.21
AMP	ME407030	0.69	0.99	1.26	1.22
NAD+	ME407144	0.68	0.99	1.28	1.21
3-phosphoglycerate	ME407006	0.60	0.55	1.42	1.63
saccharopine	ME407177	0.58	0.64	1.42	1.56
adenine	ME407019	0.73	0.46	1.56	1.38
anserine	ME407031	0.62	0.56	1.52	1.50
hydroxyproline gammaALA	ME407114	0.62	0.61	1.60	1.47
N-acetylphenylalanine	ME407143	0.71	0.64	1.44	1.50
kynurenine	ME407124	0.71	0.61	1.45	1.37
N2-acetyllysine	ME407137	0.64	0.67	1.52	1.35
NADP	ME407146	0.68	0.85	1.18	1.44
Ribose Ribulose 5-phosphate	ME407176	0.69	0.78	1.15	1.53
2-hydroxybutyric acid	ME406999	0.59	0.93	1.59	1.14
hypoxanthine	ME407116	0.73	0.83	1.47	1.11
fumarate	ME407084	0.66	0.81	1.57	1.13
alanine	ME407025	0.66	0.85	1.53	1.13
asymmetric dimethylarginine (ADMA)	ME407039	0.64	0.88	1.54	1.12
acetylaspartate	ME407013	0.63	1.00	1.45	1.11
IMP	ME407117	0.69	0.91	1.43	1.11
inosine	ME407119	0.71	0.94	1.44	1.05
formyl methionine	ME407082	0.62	0.85	1.46	0.97
C5 Carnitines	ME407045	0.67	0.94	1.54	1.00
uracil	ME407200	0.69	0.94	1.54	0.99
dCytidine	ME407069	0.80	0.76	1.17	1.36
valine	ME407204	0.76	0.79	1.23	1.35
Pantothenate	ME407155	0.79	0.68	1.24	1.39
phenylalanine	ME407157	0.75	0.74	1.30	1.33
sarcosine	ME407180	0.59	0.74	1.40	1.47
Acetyl CoA	ME407011	0.66	0.80	1.31	1.40
N-acetylornithine	ME407142	0.66	0.75	1.37	1.40
UDP-hexose	ME407198	0.66	0.76	1.38	1.38
acetylglutamate	ME407015	0.69	0.79	1.32	1.36
cytidine	ME407066	0.68	0.77	1.36	1.35
N-acetylmethionine	ME407141	0.87	0.74	1.26	1.17
2-aminoadipate	ME406997	0.80	0.78	1.29	1.23
methylthioadenosine	ME407135	0.77	0.84	1.32	1.19
ATP	ME407040	0.67	0.90	1.30	1.30
succinate	ME407185	0.69	0.88	1.32	1.27
gamma-aminobutyric acid	ME407085	0.63	0.93	1.39	1.24
homocitrulline	ME407112	0.64	0.91	1.35	1.27
Ribose 1-phosphate	ME407175	0.65	0.94	1.33	1.26
creatinine	ME407059	0.66	0.82	1.47	1.20
creatine	ME407058	0.66	0.87	1.46	1.18
malate	ME407130	0.68	0.87	1.45	1.16
Glycerol 3-Phosphate	ME407096	0.71	0.89	1.36	1.18
lactatic acid	ME407125	0.69	0.90	1.37	1.19
propionylcarnitine	ME407169	0.67	0.89	1.41	1.19
2-aminobutyric acid	ME406998	0.67	0.88	1.40	1.22
Glycerophosphocholine	ME407097	0.66	0.90	1.40	1.21
glycine	ME407098	0.67	0.87	1.38	1.24
3-hydroxybutyrate	ME407003	0.69	0.88	1.38	1.20
N-acetylglutamine	ME407140	0.69	0.87	1.38	1.22
glutamine	ME407093	0.71	0.83	1.40	1.21
ornithine	ME407151	0.71	0.86	1.38	1.19
UDP-GlcNAc	ME407197	0.72	0.84	1.39	1.19
beta-alanine	ME407041	0.66	0.85	1.44	1.22
histidine	ME407110	0.65	0.85	1.44	1.24
guanosine	ME407109	0.67	0.85	1.41	1.24
acetylcarnitine	ME407014	0.69	0.83	1.40	1.23
betaine	ME407042	0.68	0.85	1.40	1.22
guanidinoacetate	ME407107	0.69	0.85	1.41	1.21
methionine	ME407132	0.74	0.76	1.37	1.25
3-ureidopropionate	ME407007	0.66	0.86	1.35	1.31
carnitine	ME407048	0.65	0.84	1.40	1.29
AICAR	ME407023	0.67	0.84	1.38	1.28
S-Adenosyl-L-Homocysteine	ME407178	0.67	0.82	1.39	1.28
gamma-glutamyl-alanine	ME407086	0.66	0.85	1.34	1.23
leucine	ME407126	0.72	0.84	1.34	1.24
O-phosphoethanolamine	ME407150	0.72	0.87	1.32	1.24
guanine	ME407108	0.72	0.80	1.31	1.30
citrulline	ME407055	0.72	0.82	1.33	1.27
GMP	ME407100	0.71	0.83	1.32	1.29
CMP	ME407056	0.72	0.80	1.35	1.26
tryptophan	ME407193	0.72	0.82	1.37	1.24
asparagine	ME407036	0.70	0.81	1.35	1.29
UDP	ME407196	0.70	0.80	1.37	1.28
phosphoethanolamine	ME407162	0.70	0.84	1.35	1.26
serine	ME407182	0.69	0.83	1.37	1.27
choline	ME407052	0.60	0.90	1.48	1.23
lysine	ME407128	0.70	0.80	1.43	1.23
isoleucine	ME407120	0.70	0.77	1.46	1.22
tyrosine	ME407194	0.71	0.78	1.44	1.22
dimethylglicine	ME407073	0.64	0.80	1.49	1.26
cystathionine	ME407061	0.65	0.81	1.43	1.29
Pipecolate	ME407165	0.66	0.80	1.44	1.27
proline	ME407167	0.65	0.78	1.45	1.28
phosphocholine	ME407159	0.63	0.81	1.54	1.21
6-phosphogluconate	ME407009	0.63	0.76	1.52	1.28
threonine	ME407188	0.63	0.75	1.52	1.29

Factors:

F1	EXTRACTION BUFFER:-
F2	EXTRACTION BUFFER:buffer B
F3	EXTRACTION BUFFER:buffer C
F4	EXTRACTION BUFFER:buffer C_Ellmans

Data matrix