Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic Markers of Methotrexate Response, In Vitro (Study ST001211)

GC (Analysis AN002016)

Metabolite	Structure	F1	F2
fructose	ME287869	0.03	1.97
galactose	ME287863	0.01	1.99
citric acid	ME287883	0.19	1.81
isocitric acid	ME287834	0.20	1.72
thymidine-5-phosphate	ME287770	0.25	1.68
guanine	ME287846	1.51	0.49
uridine	ME287760	1.51	0.49
glucose-1-phosphate	ME287856	1.54	0.46
hypoxanthine	ME287838	1.55	0.45
glycerol-alpha-phosphate	ME287848	1.57	0.43
isothreonic acid	ME287830	1.56	0.44
levoglucosan	ME287825	1.56	0.44
beta-glycerolphosphate	ME287890	1.38	0.65
5^-deoxy-5^-methylthioadenosine	ME287911	1.39	0.61
5-methyluridine NIST	ME287909	1.41	0.63
pseudo uridine	ME287787	1.41	0.63
glycerol-3-galactoside	ME287849	1.46	0.54
lyxitol	ME287823	1.47	0.53
nicotinamide	ME287806	1.43	0.57
N-acetylglutamate	ME287808	1.48	0.57
arabitol	ME287898	1.46	0.59
glucosaminic acid	ME287858	1.46	0.59
inosine-5^-monophosphate	ME287836	1.91	0.09
inosine	ME287837	1.81	0.19
orotic acid	ME287800	1.85	0.15
2-hydroxyglutaric acid	ME287924	1.66	0.34
adenosine-5-monophosphate	ME287904	1.66	0.34
ribitol	ME287782	1.72	0.28
gluconic acid	ME287860	1.77	0.23
guanosine	ME287845	1.75	0.25
adenosine	ME287905	1.33	0.67
pyrophosphate	ME287784	1.33	0.67
homoserine	ME287840	1.31	0.69
putrescine	ME287786	1.32	0.68
methyl O-D-galactopyranoside	ME287814	1.33	0.70
fructose-6-phosphate	ME287867	1.31	0.72
1,5-anhydroglucitol	ME287931	1.32	0.72
cytidine	ME287877	1.32	0.71
butyrolactam NIST	ME287889	1.29	0.74
UDP-N-acetylglucosamine	ME287763	1.28	0.72
isohexonic acid	ME287833	1.29	0.71
pantothenic acid	ME287796	1.29	0.71
cyanoalanine	ME287880	1.20	0.80
myristic acid	ME287811	1.21	0.79
2-hydroxyvaleric acid	ME287923	1.21	0.79
erythrose	ME287871	1.21	0.79
adenine	ME287906	1.24	0.76
hexadecylglycerol NIST	ME287843	1.23	0.77
octadecylglycerol	ME287804	1.27	0.73
phenaceturic acid	ME287793	1.27	0.75
methanolphosphate	ME287817	1.25	0.75
xylitol	ME287756	1.26	0.74
trans-4-hydroxy-L-proline	ME287768	1.26	0.74
glutaric acid	ME287852	1.26	0.74
galacturonic acid	ME287862	1.26	0.74
beta-alanine	ME287891	1.26	0.74
cerotinic acid	ME287886	1.26	0.74
palmitic acid	ME287798	1.12	0.88
glyceric acid	ME287850	1.12	0.88
adipic acid	ME287903	1.12	0.88
benzoic acid	ME287892	1.12	0.88
xanthine	ME287758	1.11	0.90
urea	ME287761	1.11	0.89
fumaric acid	ME287865	1.11	0.89
3-hydroxybutyric acid	ME287916	1.11	0.89
2-ketobutyric acid	ME287921	1.11	0.89
2,5-dihydroxypyrazine NIST	ME287927	1.11	0.89
1,2,4-benzenetriol	ME287932	1.11	0.89
1-monopalmitin	ME287929	1.11	0.89
ribonic acid	ME287781	1.12	0.89
threonic acid	ME287773	1.12	0.89
2-ketoadipic acid	ME287922	1.09	0.91
galactinol	ME287864	1.09	0.91
erythritol	ME287872	1.08	0.92
xylose	ME287755	1.08	0.92
1-hexadecanol	ME287930	1.19	0.81
asparagine	ME287895	1.18	0.82
spermidine	ME287777	1.18	0.82
lactic acid	ME287829	1.18	0.84
glucoheptulose	ME287861	1.17	0.83
creatinine	ME287881	1.17	0.83
cytidine-5-monophosphate	ME287876	1.17	0.83
oxoproline	ME287799	1.14	0.87
UDP-glucuronic acid	ME287764	1.14	0.86
trans-4-hydroxyproline	ME287767	1.14	0.86
octadecanol	ME287805	1.14	0.86
palmitoleic acid	ME287797	1.14	0.86
myo-inositol	ME287812	1.16	0.86
pipecolinic acid	ME287789	1.16	0.86
5-aminovaleric acid	ME287912	1.15	0.85
2-aminobutyric acid	ME287926	1.16	0.84
N-acetylputrescine	ME287807	1.16	0.84
oleic acid	ME287802	0.99	1.01
hexitol	ME287842	0.99	1.01
2-monopalmitin	ME287919	0.99	1.01
acetophenone NIST	ME287908	0.99	1.01
isoleucine	ME287832	1.00	1.00
malic acid	ME287821	1.00	1.00
monomyristin	ME287813	0.95	1.04
maleimide	ME287822	0.96	1.03
succinic acid	ME287775	0.96	1.04
threonine	ME287772	0.97	1.03
hydroquinone	ME287839	0.97	1.02
N-acetylaspartic acid	ME287810	0.98	1.02
phosphate	ME287791	0.98	1.02
tocopherol alpha-	ME287769	1.01	0.99
proline	ME287788	1.01	0.99
cellobiose	ME287887	1.01	0.99
heptadecanoic acid	ME287844	1.01	0.99
thymidine	ME287771	1.03	0.97
alpha-aminoadipic acid	ME287900	1.03	0.97
glutamic acid	ME287854	1.03	0.97
behenic acid	ME287893	1.02	0.98
stearic acid	ME287776	1.02	0.98
glutamine	ME287853	1.06	0.94
N-acetylgalactosamine	ME287809	1.06	0.94
1-monostearin	ME287928	1.07	0.94
gluconic acid lactone	ME287859	1.07	0.93
maltotriose	ME287820	1.07	0.93
4-hydroxybutyric acid	ME287913	1.04	0.96
pelargonic acid	ME287795	1.05	0.95
cholesterol	ME287885	1.05	0.95
allantoic acid	ME287901	1.05	0.95
caprylic acid	ME287888	1.05	0.95
mannitol	ME287819	0.69	1.28
aspartic acid	ME287894	0.72	1.28
lactulose	ME287827	0.71	1.29
uracil	ME287762	0.71	1.29
4^,5-dihydroxy-7-glucosyloxyflavanone	ME287914	0.77	1.21
pyridoxine	ME287785	0.79	1.21
3,6-anhydro-D-galactose	ME287918	0.74	1.23
glucose-6-phosphate	ME287855	0.75	1.23
alanine	ME287902	0.77	1.23
pentadecanoic acid	ME287794	0.76	1.24
methionine	ME287816	0.76	1.24
arachidonic acid	ME287896	0.76	1.24
cysteine-glycine	ME287878	0.76	1.24
cis-gondoic acid	ME287884	0.75	1.25
lysine	ME287824	0.74	1.26
fructose-1-phosphate	ME287868	0.72	1.25
isomaltose	ME287831	0.73	1.24
inositol-4-monophosphate	ME287835	0.93	1.07
oleamide NIST	ME287803	0.88	1.11
leucine	ME287826	0.89	1.11
tryptophan	ME287766	0.89	1.11
glutathione	ME287851	0.90	1.09
dihydrocholesterol	ME287874	0.90	1.10
5-methoxytryptamine	ME287910	0.90	1.10
arachidic acid	ME287897	0.90	1.10
ethanolamine	ME287870	0.89	1.10
raffinose	ME287783	0.89	1.10
2-deoxypentitol NIST	ME287925	0.87	1.13
cysteine	ME287879	0.86	1.14
tyrosine	ME287765	0.86	1.14
ornithine	ME287801	0.84	1.16
taurine	ME287774	0.84	1.16
3-phosphoglycerate	ME287915	0.84	1.14
aminomalonate	ME287899	0.85	1.15
phenylalanine	ME287792	0.85	1.15
xanthosine	ME287757	0.82	1.17
citrulline	ME287882	0.83	1.17
valine	ME287759	0.83	1.17
docosahexaenoic acid	ME287873	0.80	1.20
2-monoolein	ME287920	0.81	1.19
glycine	ME287847	0.81	1.19
phosphoethanolamine	ME287790	0.56	1.44
3-hydroxy-3-methylglutaric acid	ME287917	0.59	1.37
histidine	ME287841	0.58	1.38
serine	ME287779	0.59	1.41
methionine sulfoxide	ME287815	0.61	1.39
sorbitol	ME287778	0.60	1.40
fucose	ME287866	0.41	1.53
mannose	ME287818	0.43	1.52
aconitic acid	ME287907	0.46	1.49
D-erythro-sphingosine	ME287875	0.47	1.47
lactitol	ME287828	0.48	1.47
glucose	ME287857	0.36	1.58
ribose	ME287780	0.33	1.67

Factors:

F1	Group:Control
F2	Group:Methotrexate

Data matrix