Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003331)

Reversed phase NEGATIVE ION MODE (Analysis AN005456)

Metabolite	Structure	F1	F2
CMP-N-acetylneuraminate	ME872886	1.56	0.54
2-Hydroxyglutarate/Citramalate	ME872871	1.52	0.61
Itaconate	ME872821	1.51	0.62
L-Cysteate	ME872895	1.50	0.62
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	ME872917	1.96	0.22
Docosahexaenoic acid	ME872914	1.69	0.48
Adenylosuccinic acid	ME872860	1.81	0.34
Arachidonic acid (Eicosatetraenoic acid)	ME872913	1.80	0.40
5-6-Dihydrouracil	ME872891	0.52	1.36
2-Aminomuconate	ME872902	0.50	1.38
2-Oxoglutarate 13C3	ME872818	0.50	1.37
D-4--Phosphopantothenate	ME872892	0.49	1.39
2-Oxoglutarate 13C4	ME872819	0.49	1.38
D-Arabitol	ME872869	0.49	1.38
5-Oxoproline	ME872874	0.43	1.43
ADP	ME872847	0.47	1.40
L-asparagine	ME872840	0.45	1.41
5-10-Methenyltetrahydrofolate	ME872881	0.35	1.24
Adenylyl sulfate	ME872859	0.37	1.32
Hydroxyindole-acetylglycine	ME872903	0.38	1.31
GMP	ME872850	0.14	1.64
Cystathionine	ME872879	0.18	1.61
Hypotaurine	ME872893	0.20	1.60
cis-Aconitate 13C4	ME872826	0.24	1.44
Guanidinoacetate	ME872888	0.29	1.47
gamma-L-Glutamyl-D-alanine	ME872878	0.34	1.49
cis-Aconitate 13C2	ME872824	0.34	1.50
Citrate 13C2	ME872812	0.33	1.50
L-cysteine	ME872842	0.36	1.48
3^,5^-Cyclic AMP	ME872858	0.37	1.47
Citrate 13C3	ME872813	0.37	1.47
CMP	ME872852	0.30	1.53
Indole	ME872896	0.31	1.52
Citrate 13C4	ME872814	0.28	1.54
Citrate 13C5	ME872815	0.27	1.55
g-Oxalo-crotonate	ME872901	0.26	1.55
Fumarate 13C4	ME872834	0.72	1.21
L-alanine	ME872839	0.73	1.20
Ascorbate	ME872875	0.70	1.22
Citrate	ME872811	0.71	1.22
GDP	ME872849	0.68	1.24
Inosine	ME872857	0.69	1.24
alpha-D-Glucosamine 1-phosphate	ME872884	0.70	1.23
(8Z-11Z-14Z)-Icosatrienoic acid	ME872916	0.69	1.23
D-Glucose	ME872809	0.69	1.23
Argininosuccinate	ME872882	0.64	1.36
2-Oxoglutaramate	ME872870	0.64	1.27
Indolepyruvate	ME872897	0.65	1.26
Adenosine	ME872848	0.59	1.31
2-Oxoglutarate 13C5	ME872820	0.61	1.29
Indoxyl	ME872898	0.62	1.28
Dimethylglycine	ME872880	0.81	1.14
2/3-Phospho-D-glycerate	ME872867	0.81	1.14
alpha-D-Ribose 1-phosphate	ME872873	0.81	1.14
2-Oxoglutarate 13C2	ME872817	0.80	1.15
Dehydroascorbate	ME872876	0.80	1.15
Glucose 13C6	ME872810	0.75	1.19
ATP	ME872846	0.77	1.17
cis-Aconitate 13C3	ME872825	0.76	1.18
2-Oxoglutarate	ME872816	0.92	1.06
D-Fructose 1-6-bisphosphate	ME872866	0.94	1.04
Butanoic/Butyric acid	ME872906	0.94	1.05
Hexadecenoic acid (Palmitoleic acid)	ME872910	0.94	1.05
cis-Aconitate	ME872823	0.84	1.12
Glycerol 3-phosphate	ME872904	0.86	1.11
Dodecanedioic acid	ME872915	0.87	1.09
CDP	ME872851	0.90	1.07
Fumarate 13C2	ME872832	0.89	1.08
L-aspartate	ME872841	1.07	0.95
D-Glucose 6-phosphate	ME872865	1.08	0.94
Fumarate 13C3	ME872833	1.09	0.93
Diphosphate	ME872864	1.02	0.98
Itaconate 13C2	ME872822	1.03	0.98
Heptanoic acid	ME872908	1.01	0.99
Hexanoic acid (caproate)	ME872907	1.00	1.00
Ethanolamine phosphate	ME872905	1.30	0.77
gamma-Glutamyl-Se-methylselenocysteine	ME872877	1.18	0.86
4-Acetamidobutanoate	ME872887	1.25	0.81
Fumarate	ME872831	1.23	0.83

Factors:

F1	Disease factor:AMC
F2	Disease factor:PMS

Data matrix