Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001760)

(Analysis AN002867)

Metabolite	Structure	F1	F2	F3	F4
GSH_13C2-15N-Ellmans	ME407315	0.54	NA	NA	2.07
GSH_Ellmans	ME407316	0.60	NA	NA	1.71
alanine-13C3-15N	ME407239	NA	0.28	0.12	2.59
2,3-BPG_unc	ME407209	0.65	0.27	0.73	2.61
adenosine_unc	ME407233	0.30	0.01	0.66	2.98
Alpha-Lipoic Acid_unc	ME407242	0.58	2.44	0.75	0.26
glycerate	ME407308	0.66	2.43	0.40	0.69
2-oxoadipate_unc	ME407214	0.75	NA	1.34	1.05
cis-aconitate	ME407266	0.61	0.41	1.61	1.47
ascorbate	ME407248	0.82	0.02	1.41	1.89
2-hydroxyglutarate	ME407213	0.78	0.34	1.47	1.58
Alpha-Ketoglutarate	ME407241	0.81	0.22	1.42	1.69
Itaconic Acid	ME407336	0.81	0.18	1.54	1.62
dTMP	ME407287	0.94	0.28	1.41	1.74
dTTP	ME407288	0.99	0.17	1.29	1.81
NADH	ME407359	0.63	1.58	0.77	1.39
xanthine	ME407420	0.63	1.71	1.08	0.86
aspartate-13C6-15N4	ME407251	0.70	1.81	0.78	0.93
glutamate-13C5,15N	ME407305	0.73	1.61	0.83	1.04
cAMP_unc	ME407259	0.58	0.88	1.34	1.69
anserine_unc	ME407244	0.68	0.66	1.42	1.48
S-methylcysteine_unc	ME407398	0.68	0.74	1.31	1.47
cytidine	ME407279	0.64	0.82	1.30	1.50
N2-acetyllysine	ME407351	0.66	0.82	1.34	1.42
aspartate	ME407250	0.66	1.47	1.15	0.97
uric acid_unc	ME407415	0.56	1.53	1.37	0.99
acetylserine	ME407231	0.64	1.42	1.02	1.10
N-acetylmethionine	ME407355	0.69	1.33	0.99	1.09
dihydroxyacetone_phosphate	ME407285	0.58	1.34	1.14	1.20
isoleucine	ME407334	0.67	1.28	1.12	1.19
inosine	ME407333	0.77	1.26	1.23	0.90
hypoxanthine	ME407329	0.73	1.18	1.24	1.04
AMP	ME407243	0.68	1.21	1.22	1.13
taurine	ME407400	0.68	1.25	1.23	1.08
C5 Carnitines	ME407258	0.62	1.21	1.31	1.14
S-Adenosyl-L-Homocysteine	ME407392	0.69	1.13	1.34	1.08
xanthosine_unc	ME407421	0.65	1.39	1.31	0.92
pseudouridine_unc	ME407385	0.65	1.37	1.18	1.06
valine	ME407418	0.63	1.34	1.34	1.06
glucose	ME407302	0.64	1.29	1.29	1.05
glutamate	ME407304	0.67	1.31	1.25	1.02
citrate	ME407267	0.53	0.89	1.41	1.29
dimethylglicine	ME407286	0.54	1.03	1.45	1.44
choline	ME407265	0.75	1.03	1.33	1.08
Glycerophosphocholine	ME407310	0.77	1.05	1.31	1.04
S-Adenosyl-L-methionine	ME407393	0.78	1.03	1.32	1.04
cytosine_unc	ME407280	0.83	0.88	1.25	1.04
Kynurenic Acid	ME407337	0.85	0.89	1.21	1.09
Glucose 6-phosphate	ME407303	0.64	1.17	1.25	1.29
acetylcarnitine	ME407227	0.67	1.11	1.23	1.25
IMP	ME407330	0.67	1.11	1.25	1.23
leucine	ME407340	0.63	1.12	1.24	1.28
ornithine	ME407365	0.65	1.09	1.23	1.29
UMP	ME407413	0.65	1.11	1.22	1.28
betaine	ME407255	0.68	1.15	1.26	1.14
lactatic_acid	ME407339	0.70	1.13	1.24	1.15
alanine	ME407238	0.74	1.08	1.22	1.15
arginine	ME407245	0.70	1.07	1.28	1.17
carnosine	ME407262	0.71	1.09	1.26	1.16
Glycerol 3-Phosphate	ME407309	0.70	1.03	1.32	1.18
methionine	ME407346	0.70	1.03	1.31	1.19
phosphoethanolamine	ME407376	0.70	1.05	1.29	1.19
UDP-GlcNAc	ME407411	0.71	1.03	1.29	1.19
tryptophan	ME407407	0.69	1.03	1.29	1.22
tyrosine	ME407408	0.68	1.02	1.32	1.22
UDP	ME407410	0.68	1.03	1.32	1.21
carnitine	ME407261	0.69	1.09	1.32	1.14
guanidinoacetate	ME407320	0.70	1.05	1.32	1.16
cystathionine	ME407274	0.69	1.04	1.34	1.16
NAD+	ME407358	0.70	1.04	1.34	1.15
lysine	ME407342	0.64	1.07	1.32	1.24
propionylcarnitine	ME407383	0.62	1.11	1.31	1.24
niacinamide	ME407362	0.66	1.13	1.30	1.17
proline	ME407381	0.63	1.11	1.33	1.21
ADP	ME407234	0.64	1.11	1.34	1.18
serine	ME407396	0.65	1.10	1.33	1.18
orotate	ME407366	0.59	1.12	1.42	1.18
argininosuccinate	ME407247	0.62	1.14	1.40	1.13
asymmetric dimethylarginine (ADMA)	ME407252	0.62	1.11	1.42	1.14
3-ureidopropionate	ME407220	0.64	1.05	1.37	1.21
phosphocholine	ME407373	0.62	1.05	1.39	1.22
creatinine	ME407272	0.61	1.02	1.46	1.21
glycine	ME407311	0.64	1.04	1.44	1.16
saccharopine_unc	ME407391	0.63	0.94	1.42	1.28
sarcosine	ME407394	0.62	0.96	1.43	1.27
beta-alanine	ME407254	0.65	1.00	1.39	1.23
phosphocreatine	ME407374	0.67	0.95	1.38	1.25
GTP	ME407319	0.55	1.04	1.29	1.24
succinate	ME407399	0.64	1.01	1.33	1.29
Pipecolate	ME407379	0.60	1.05	1.36	1.28
threonine	ME407402	0.61	1.05	1.34	1.30
glutamine	ME407306	0.75	0.84	1.30	1.30
CDP	ME407263	0.65	0.87	1.38	1.25
Acetyl CoA	ME407224	0.69	0.88	1.34	1.32
F6P_G1P_unc	ME407291	0.69	0.89	1.39	1.34
gamma-aminobutyric_acid	ME407298	0.74	0.95	1.18	1.26
NADP	ME407360	0.68	1.05	1.21	1.30
acetylglutamate	ME407228	0.70	1.00	1.19	1.33
N-acetylglutamate	ME407353	0.70	1.00	1.19	1.33
asparagine	ME407249	0.67	0.93	1.26	1.38
gamma-glutamyl-alanine	ME407299	0.65	0.99	1.27	1.36
phosphoenolpyruvate	ME407375	0.65	0.98	1.25	1.29
3-hydroxybutyrate	ME407216	0.72	0.92	1.29	1.29
homocitrulline	ME407325	0.69	0.96	1.32	1.27
histidine	ME407323	0.70	0.98	1.30	1.23
N-acetylglutamine	ME407354	0.69	0.99	1.30	1.25
creatine	ME407271	0.61	1.26	1.37	1.35
AICAR	ME407236	0.58	1.21	1.30	1.31
Sedoheptulose-7-phosphate	ME407395	0.60	1.22	1.23	1.33
fumarate	ME407297	0.67	1.20	1.13	1.33
malate	ME407344	0.68	1.17	1.11	1.37
ATP	ME407253	0.61	1.10	1.27	1.43
UDP-hexose	ME407412	0.59	1.15	1.19	1.50
Ribose 1-phosphate_unc	ME407389	0.60	1.18	1.21	1.42
Ribose_Ribulose 5-phosphate	ME407390	0.60	1.18	1.21	1.42
p-aminobenzoate	ME407368	0.77	0.95	1.11	1.30
Pyridoxal	ME407386	0.82	0.94	1.07	1.32
citrulline	ME407268	0.71	1.01	1.12	1.37
dCytidine	ME407282	0.72	0.99	1.11	1.46
phenylalanine	ME407371	0.69	0.94	1.15	1.46
Methionine sulfoxide	ME407347	0.71	0.93	1.15	1.42
Pantothenate	ME407369	0.73	0.95	1.14	1.39
3-phosphoglycerate	ME407219	0.59	1.04	1.04	1.64
CMP	ME407269	0.65	0.98	1.19	1.59
GMP	ME407313	0.65	1.06	1.15	1.53
O-phosphoethanolamine_unc	ME407364	0.67	1.01	1.22	1.48
formyl_methionine	ME407295	0.48	0.97	1.78	1.21
hypotaurine	ME407328	0.67	1.02	1.74	0.81
uridine	ME407416	0.64	1.33	1.47	0.82
6-phosphogluconate	ME407222	0.60	1.17	1.46	0.96
Butyrylcarnitine	ME407257	0.58	1.22	1.48	1.03
guanine_unc	ME407321	0.68	1.11	1.47	0.97
guanosine	ME407322	0.68	1.08	1.49	0.99
GDP	ME407301	0.64	1.15	1.44	1.04
methylthioadenosine	ME407349	0.64	1.08	1.47	1.07
adenine	ME407232	0.61	0.97	1.61	1.10
thymidine	ME407404	0.62	1.02	1.62	0.94
Fructose 1,6-bisphosphate	ME407296	0.68	0.81	0.88	1.87
Isoleucine-13C6-15N	ME407335	0.58	1.00	0.69	2.04
histidine-13C6-15N3	ME407324	0.63	0.84	0.81	1.98
phenylalanine-13C9-15N	ME407372	0.65	0.91	0.72	1.99
methionine-13C5-15N	ME407348	0.60	0.96	0.78	1.96
threonine-13C4-15N	ME407403	0.61	0.97	0.80	1.91
serine-13C3-15N	ME407397	0.61	1.11	0.65	1.73
trans-urocanic acid	ME407405	0.68	1.22	0.68	1.65
2-aminoadipate	ME407210	0.67	1.12	0.91	1.50
valine-13C5-15N	ME407419	0.67	1.17	0.90	1.51
leucine-13C6-15N	ME407341	0.64	1.07	0.80	1.76
lysine-13C6-15N2	ME407343	0.65	1.08	0.91	1.63
proline-13C5-15N	ME407382	0.66	1.10	0.91	1.58
arginine-13C6,15N4	ME407246	0.67	1.07	0.85	1.65
tyrosine-13C9-15N	ME407409	0.66	1.02	0.89	1.69
3-methyl-2-oxopentanoic_acid	ME407218	1.10	0.56	1.01	1.36
kynurenine	ME407338	0.80	0.77	0.95	1.53
N-acetylornithine	ME407356	0.87	1.01	0.89	1.29
acetylmethionine	ME407230	0.51	1.33	1.16	NA
GSH-13C2_15N	ME407317	NA	1.27	0.64	NA
pyruvate	ME407387	NA	1.18	0.82	NA
N-acetylcysteine	ME407352	NA	0.80	1.20	NA
Piridoxine	ME407380	NA	0.94	1.06	NA
Coenzyme A	ME407270	NA	0.99	1.01	NA
GSH	ME407314	NA	0.98	1.02	NA
cysteine-glycine	ME407277	0.01	0.90	2.58	0.01
2-hydroxybutyric_acid	ME407212	0.35	1.38	1.68	0.67
uracil	ME407414	0.41	1.52	1.80	0.62
cystine	ME407278	0.26	1.80	2.31	0.18
GSSG	ME407318	0.57	1.24	2.27	0.24

Factors:

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

Data matrix