Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001761)

(Analysis AN002868)

Metabolite	Structure	F1	F2	F3	F4
2-aminoadipate	ME407424	0.65	0.13	0.44	2.84
thiamine	ME407614	NA	1.19	0.24	NA
acetylmethionine	ME407444	0.32	1.50	NA	0.05
N-acetylmethionine	ME407568	0.29	1.36	NA	NA
Methionine sulfoxide	ME407560	0.70	2.92	0.22	0.21
Alpha-Lipoic Acid_unc	ME407456	0.41	2.36	0.33	NA
glycerate	ME407522	0.65	2.22	0.36	0.58
xanthine	ME407633	0.64	2.09	0.61	0.49
Pipecolate	ME407592	NA	NA	0.92	1.08
GSH_Ellmans	ME407530	0.86	NA	NA	1.09
biotin	ME407470	NA	0.62	NA	1.38
GSH_13C2-15N-Ellmans	ME407529	0.24	NA	NA	1.51
adenosine_unc	ME407447	0.40	1.42	1.73	0.64
ADP	ME407448	NA	0.69	1.94	0.38
GSH	ME407528	NA	0.01	1.33	NA
uridine	ME407629	0.29	1.15	1.39	NA
formyl_methionine	ME407509	0.13	0.47	1.32	NA
2-hydroxybutyric_acid	ME407426	NA	0.93	1.07	NA
uracil	ME407627	NA	0.83	1.17	NA
argininosuccinate	ME407461	1.21	0.42	1.67	0.74
pyruvate	ME407600	0.98	0.43	1.72	0.74
cystine	ME407492	0.99	0.75	1.55	0.63
dTTP	ME407502	1.13	0.69	1.73	0.34
ascorbate	ME407462	0.81	0.01	1.81	1.43
2-hydroxyglutarate	ME407427	0.89	0.03	1.82	1.28
Itaconic Acid	ME407549	0.88	0.02	1.90	1.23
IMP	ME407544	0.50	0.76	2.04	0.97
cis-aconitate	ME407480	0.64	0.44	1.93	1.04
citrate	ME407481	0.70	0.52	1.78	1.13
Alpha-Ketoglutarate	ME407455	0.95	0.11	1.23	0.97
3-phosphoglycerate	ME407433	0.65	NA	0.90	1.50
3-methyl-2-oxobutyrate	ME407431	0.92	0.46	0.92	1.33
anserine_unc	ME407458	1.00	0.49	0.98	1.44
threonine	ME407615	0.71	0.61	1.20	1.53
asparagine	ME407463	0.82	0.42	1.24	1.48
carnosine	ME407476	0.75	0.48	1.37	1.45
succinate	ME407612	0.80	0.43	1.53	1.31
3-methyl-2-oxopentanoic_acid	ME407432	0.93	0.50	1.31	1.27
saccharopine_unc	ME407604	0.98	0.48	1.33	1.22
hydroxyproline_gammaALA	ME407541	0.65	0.10	1.39	1.68
citrulline	ME407482	0.76	0.42	1.20	1.66
methionine	ME407559	0.69	0.39	1.10	1.87
methionine-13C5-15N	ME407561	0.69	0.49	1.10	1.77
AMP	ME407457	0.43	1.29	1.49	1.37
acetylaspartate	ME407440	0.69	0.85	0.99	1.79
phenylalanine	ME407584	0.78	0.76	0.76	1.74
tryptophan	ME407620	0.76	0.82	0.81	1.65
isoleucine	ME407547	0.71	0.89	0.74	1.70
proline	ME407594	0.66	0.82	0.82	1.75
Isoleucine-13C6-15N	ME407548	0.64	1.03	0.83	1.56
ornithine	ME407578	0.68	0.90	0.88	1.60
phenylalanine-13C9-15N	ME407585	0.74	0.94	0.81	1.56
gamma-glutamyl-alanine	ME407513	1.06	1.17	0.80	0.99
hypoxanthine	ME407543	0.62	1.23	1.27	1.01
inosine	ME407546	0.63	1.24	1.14	1.08
Butyrylcarnitine	ME407471	0.62	1.13	1.38	0.92
creatinine	ME407486	0.73	1.21	1.23	0.88
GSSG	ME407532	0.81	1.05	1.30	0.87
glycine	ME407525	0.84	0.87	0.93	1.34
leucine	ME407553	0.74	0.95	0.95	1.41
histidine	ME407537	0.78	0.86	1.08	1.32
serine	ME407609	0.71	0.81	1.08	1.44
threonine-13C4-15N	ME407616	0.73	0.80	1.12	1.40
tyrosine	ME407621	0.72	0.86	1.11	1.35
valine	ME407631	0.69	0.88	1.08	1.40
guanosine	ME407536	0.58	0.85	1.15	1.42
alanine	ME407452	0.68	0.82	1.17	1.45
cytidine	ME407493	0.67	0.75	1.17	1.47
thymidine	ME407617	0.92	0.79	1.14	1.40
phosphocholine	ME407586	0.71	0.78	1.27	1.28
Glycerophosphocholine	ME407524	0.80	0.65	1.18	1.40
alanine-13C3-15N	ME407453	0.77	0.69	1.23	1.35
glutamine	ME407520	0.80	0.70	1.21	1.33
lactatic_acid	ME407552	0.84	1.06	1.02	1.13
carnitine	ME407475	0.77	1.03	1.07	1.17
Pantothenate	ME407582	0.81	1.02	1.09	1.11
3-hydroxybutyrate	ME407430	0.85	1.02	1.15	1.01
acetylserine	ME407445	0.81	1.02	1.11	1.01
dCytidine	ME407496	0.77	1.10	1.12	1.00
niacinamide	ME407575	0.76	1.08	1.12	1.08
adenine	ME407446	0.65	0.97	1.31	1.19
F6P_G1P_unc	ME407505	0.67	0.93	1.26	1.12
guanine_unc	ME407535	0.74	0.96	1.10	1.16
histidine-13C6-15N3	ME407538	0.76	0.94	1.14	1.19
phosphoethanolamine	ME407589	0.78	0.91	1.14	1.18
glutamate	ME407518	0.78	0.92	1.22	1.09
phosphocreatine	ME407587	0.74	0.93	1.21	1.17
asymmetric dimethylarginine (ADMA)	ME407466	0.74	1.18	1.05	1.03
creatine	ME407485	0.70	1.19	0.98	1.19
arginine-13C6,15N4	ME407460	0.67	1.28	0.99	1.11
lysine-13C6-15N2	ME407556	0.68	1.23	1.03	1.12
N-acetylglutamine	ME407567	0.71	1.03	1.03	1.28
betaine	ME407469	0.68	1.07	1.03	1.28
proline-13C5-15N	ME407595	0.70	1.08	1.04	1.23
valine-13C5-15N	ME407632	0.68	1.10	1.03	1.25
tyrosine-13C9-15N	ME407622	0.71	1.02	1.12	1.20
acetylcarnitine	ME407441	0.72	1.07	1.06	1.19
arginine	ME407459	0.69	1.08	1.10	1.18
lysine	ME407555	0.71	1.07	1.09	1.18
aspartate	ME407464	0.82	1.07	0.88	1.26
3-ureidopropionate	ME407434	0.72	1.08	0.93	1.27
leucine-13C6-15N	ME407554	0.71	1.09	0.93	1.32
guanidinoacetate	ME407534	0.95	0.70	1.01	1.27
homocitrulline	ME407539	1.00	0.67	1.12	1.15
N2-acetyllysine	ME407564	0.91	0.67	1.18	1.23
Glucose 6-phosphate	ME407517	0.95	1.03	1.04	0.98
propionylcarnitine	ME407596	0.98	1.04	0.92	1.06
C5 Carnitines	ME407472	0.89	0.89	1.08	1.10
Glycerol 3-Phosphate	ME407523	0.90	0.85	1.10	1.13
O-phosphoethanolamine_unc	ME407577	0.95	0.89	0.99	1.15
serine-13C3-15N	ME407610	0.89	0.91	1.02	1.16
glycine_13C2-15N	ME407526	1.06	0.86	0.99	1.11
S-Adenosyl-L-methionine	ME407606	1.03	0.87	1.11	1.01
5-Hydroxyindole-3-Acetate_unc	ME407435	NA	1.12	0.99	0.89
trans-urocanic acid	ME407618	0.66	1.51	0.49	1.39
orotate	ME407579	0.73	1.39	1.00	0.57
Pyridoxal	ME407599	0.75	1.37	0.93	0.74
taurine	ME407613	0.56	1.94	0.87	0.70
uric acid_unc	ME407628	0.65	1.47	0.87	1.11
pseudouridine_unc	ME407598	0.73	1.68	0.83	0.72
aspartate-13C6-15N4	ME407465	0.65	1.76	0.80	0.85
glucose	ME407516	0.64	1.70	0.82	0.81
glutamate-13C5,15N	ME407519	0.69	1.53	0.93	0.91
malate	ME407557	0.65	1.65	0.79	0.97

Factors:

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

Data matrix