Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002476)

CE NEGATIVE ION MODE (Analysis AN004078)

Metabolite	Structure	F1	F2	F3
3-(4-Hydroxyphenyl)propionate	ME590729	0.78	1.41	0.81
Cysteine S-sulfate	ME590553	0.77	1.51	0.72
3-Methylbutanoate	ME590737	1.02	1.55	0.43
N-Acetylaspartate	ME590620	0.94	1.45	0.61
Isethionate	ME590606	0.85	1.49	0.55
Succinate	ME590677	0.84	1.58	0.58
F6P	ME590578	1.22	0.83	NA
Undecanoate	ME590695	1.25	0.87	NA
p-Hydroxyphenylacetate	ME590657	0.58	1.23	NA
Fumarate	ME590581	0.96	1.04	NA
Urate	ME590696	0.95	1.14	NA
Glycocholate	ME590594	0.78	1.15	NA
Glycolate	ME590595	0.73	1.05	NA
2-Hydroxybutyrate	ME590713	NA	0.87	1.13
p-Hydroxybenzoate	ME590656	NA	1.10	0.90
Threonate	ME590684	1.22	NA	0.78
GDP	ME590586	1.05	NA	0.99
ATP	ME590527	0.78	NA	1.17
CDP-choline	ME590539	0.92	NA	1.14
Isobutyryl CoA	ME590607	0.62	0.27	2.11
Lactate	ME590611	0.55	0.52	1.93
G6P	ME590584	0.73	0.40	1.88
S7P	ME590670	0.77	0.44	1.74
2-Hydroxy-4-methylpentanoate	ME590712	0.36	0.67	1.49
Acetyl CoA	ME590517	0.90	0.44	1.66
ADP	ME590522	0.92	0.49	1.59
3PG	ME590738	0.71	0.60	1.57
Sorbitol 6-phosphate	ME590676	0.67	0.65	1.64
2-Deoxyglucose 6-phosphate	ME590709	0.78	0.77	1.45
Ru5P	ME590669	0.77	0.66	1.51
Cysteate	ME590552	0.83	0.71	1.47
N-Acetylglucosamine 1-phosphate	ME590622	0.88	0.70	1.42
UDP	ME590690	0.88	0.65	1.47
Butyrate	ME590534	0.98	0.57	1.45
2-Isopropylmalate	ME590719	0.90	0.57	1.49
Citrate	ME590546	0.86	0.59	1.55
G1P	ME590582	0.83	0.55	1.53
3-Phenylpropionate	ME590740	1.10	0.52	1.38
UDP-glucose	ME590691	1.13	0.55	1.33
ADP-glucose	ME590523	0.82	0.61	1.21
3-Hydroxybutyrate	ME590733	0.93	0.81	1.10
UDP-glucuronate	ME590692	1.03	0.72	1.10
CDP	ME590538	0.95	0.67	1.10
IMP	ME590604	0.95	0.74	1.09
dTDP	ME590571	0.93	0.66	1.31
Malonate	ME590613	0.96	0.68	1.36
UDP-N-acetylglucosamine	ME590693	1.08	0.65	1.27
FAD	ME590579	1.00	0.63	1.33
NAD+	ME590630	1.06	0.62	1.32
6-Hydroxyhexanoate	ME590750	1.08	0.68	1.17
NADH	ME590631	1.06	0.75	1.19
4-Pyridoxate	ME590749	1.04	0.79	1.17
Sebacate	ME590672	1.06	0.78	1.16
N-Acetylmuramate	ME590627	1.03	0.81	1.26
AMP	ME590526	0.97	0.72	1.31
Glutarate	ME590591	1.00	0.72	1.28
Pimelate	ME590658	1.04	0.70	1.26
Taurocholate	ME590681	1.02	0.75	1.23
2-Hydroxypentanoate	ME590717	0.90	0.92	1.18
Homovanillate	ME590602	0.85	0.93	1.22
2,3-Pyridinedicarboxylate	ME590704	0.85	0.89	1.19
NADP+	ME590632	0.82	0.89	1.17
3-Phenyllactate	ME590739	0.76	0.93	1.40
O-Phosphoserine	ME590642	0.65	0.91	1.23
dTMP	ME590572	1.17	0.84	0.98
Glycerophosphate	ME590593	1.15	0.74	1.11
Pentanoate	ME590649	1.20	0.76	1.04
N-Acetylglucosamine 6-phosphate	ME590623	1.01	0.94	1.05
N-Acetylmethionine	ME590626	0.98	0.94	1.07
Azelate	ME590528	0.95	0.94	1.11
Citramalate	ME590545	0.96	0.93	1.11
Octanoate	ME590639	0.95	0.98	1.09
Decanoate	ME590563	0.93	1.00	1.09
Pantothenate	ME590646	0.94	0.99	1.07
N-Formylmethionine	ME590636	1.09	0.86	1.18
2-Hydroxyglutarate	ME590714	0.98	0.88	1.13
GMP	ME590597	1.01	0.88	1.11
Dodecanedioate	ME590569	1.04	0.84	1.12
Hexanoate	ME590600	1.03	0.84	1.13
2,5-Dihydroxybenzoate	ME590706	1.04	0.87	1.09
Quinate	ME590666	1.07	0.87	1.12
ADP-ribose	ME590524	1.08	0.78	1.01
Citraconate	ME590544	1.07	0.86	1.03
o-Hydroxybenzoate	ME590640	1.00	0.86	1.03
Methanesulfonate	ME590615	1.09	0.98	0.93
CMP	ME590547	1.08	0.94	0.98
UMP	ME590694	1.06	0.96	0.98
Adipate	ME590521	1.04	0.92	1.03
XMP	ME590699	1.06	0.91	1.01
4-Acetylbutyrate	ME590742	1.02	1.03	0.95
N-Acetylneuraminate	ME590628	1.02	1.00	0.98
Dodecanoate	ME590570	0.99	1.03	0.98
Phthalate	ME590655	1.00	1.01	0.99
Glucuronate	ME590590	0.93	1.05	1.01
Heptanoate	ME590599	0.98	1.04	1.02
Carbamoylaspartate	ME590536	0.90	1.11	0.98
Pelargonate	ME590648	0.98	1.08	0.96
Terephthalate	ME590683	0.96	1.12	0.94
CMP-N-acetylneuraminate	ME590548	1.20	0.78	0.77
Cholate	ME590541	1.12	1.32	0.56
DCA	ME590558	1.09	1.30	0.61
Nicotinate	ME590637	1.16	1.04	0.64
Malate	ME590612	1.08	1.17	0.76
Propionate	ME590660	1.12	1.18	0.70
3-Hydroxy-3-methylglutarate	ME590732	1.00	1.19	0.86
Indolelactate	ME590605	1.05	1.12	0.83
N-Acetylglutamate	ME590624	1.02	1.15	0.82
dAMP	ME590556	1.29	1.05	0.78
Methyl sulfate	ME590616	1.24	1.08	0.91
2-Deoxyribose 1-phosphate	ME590710	1.19	1.09	0.87
N-Acetylphenylalanine	ME590629	1.20	1.10	0.87

Factors:

F1	Temp/Duration:22C for 7 d
F2	Temp/Duration:36C for 7 d
F3	Temp/Duration:4C for 7 d

Data matrix