Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000231)

(Analysis AN000345)

Metabolite	Structure	F1	F2
Galacturonic acid	ME698854	2.48	0.51
Fructose 1;6-diphosphate	ME698851	1.00	NA
5-Hydroxypentanoate(5.25)/	ME698909	1.00	NA
dTMP	ME698847	1.00	NA
Heptanoic acid	ME698866	0.87	1.04
Vulgaxanthin-II(-9.87)/ Psorospermin(1.88)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine(3.94)/ Methylophiopogonone A(1.88)/	ME698930	0.86	1.07
gamma-L-Glutamyl-D-alanine(4.58)/	ME698916	0.96	1.05
Pyrantel(-7.13)/	ME698926	0.94	1.06
3-Hydroxybutyric acid	ME698826	0.94	1.08
5-Oxoproline	ME698829	0.94	1.07
D-Xylonate(4.93)/ L-Arabinonate(4.93)/ D-Arabinonate(4.93)/ D-Ribonate(4.93)/ L-Xylonate(4.93)/ L-Lyxonate(4.93)/	ME698913	0.88	1.12
N-Acetylneuraminic acid	ME698877	0.90	1.13
GMP	ME698864	0.92	1.11
Xanthine	ME698900	0.91	1.09
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1;3;4]oxadiazole(-5.61)/	ME698905	0.78	1.11
Ascorbic acid	ME698836	0.79	1.11
Adenylosuccinic acid	ME698831	0.82	1.13
N-Acetyl-L-citrulline(1.28)/	ME698924	0.80	1.15
Homovanillic acid	ME698868	0.76	1.24
Dihydroxyacetone phosphate	ME698846	0.82	1.22
Pantothenic acid	ME698881	0.81	1.23
(5-L-Glutamyl)-L-glutamine(8.36)/ N-Succinyl-L-citrulline(8.36)/	ME698903	0.82	1.23
AMP	ME698835	0.82	1.23
Uric acid	ME698898	0.79	1.26
2-Hydroxybutyric acid	ME698822	0.80	1.25
UMP	ME698897	0.81	1.24
CDP-choline	ME698840	0.87	1.16
Isopimpinellin(8.81)/ Glycerophosphoglycerol(-0.52)/ 2;3^;4;6-Tetrahydroxybenzophenone(8.81)/ Pimpinellin(8.81)/	ME698917	0.87	1.17
2-Phosphinomethylmalate(2.12)/	ME698908	0.86	1.14
Orthophosphate(-1.32)/ Potassium acetate(-0.3)/	ME698925	0.85	1.15
UDP-glucuronic acid	ME698895	0.85	1.15
D-myo-Inositol 1;2-cyclic phosphate(9.5)/ 6-Deoxy-5-ketofructose 1-phosphate(9.5)/	ME698912	0.84	1.20
Xanthosine	ME698901	0.84	1.20
2(alpha-D-Mannosyl)-D-glycerate(4.96)/	ME698906	0.85	1.19
Ribose 5-phosphate	ME698886	0.85	1.18
ADP-glucose/GDP-fucose	ME698833	0.80	1.20
Phosphocreatine	ME698883	0.80	1.20
N2-(D-1-Carboxyethyl)-L-lysine(6.28)/	ME698922	0.82	1.18
Pelargonic acid	ME698882	0.81	1.19
D-Xylulose 5-phosphate(3.91)/ alpha-D-Ribose 1-phosphate(3.91)/	ME698914	0.63	1.18
CTP	ME698845	0.51	1.25
UDP	ME698893	0.59	1.31
Fructose 6-phosphate	ME698852	0.73	1.34
Glucose 6-phosphate	ME698860	0.76	1.31
CMP	ME698843	0.76	1.30
Gluconic acid	ME698858	0.76	1.29
GDP	ME698855	0.65	1.35
CDP	ME698839	0.63	1.37
Fructoselysine 6-phosphate(2.91)/	ME698915	0.63	1.37
Succinic acid	ME698889	0.67	1.41
Isosorbide mononitrate(1.41)/ O-Oxalylhomoserine(1.41)/ Nitrilotriacetic acid(1.41)/	ME698918	0.69	1.38
UDP-N-acetylglucosamine	ME698896	0.69	1.39
GDP-glucose/GDP-mannose/GDP-galactose	ME698856	0.62	1.47
GTP	ME698865	0.58	1.42
CoA_divalent	ME698844	0.34	1.16
2;3-Diphosphoglyceric acid	ME698821	0.35	1.65
Phthalic acid	ME698885	0.31	1.69
NAD+	ME698878	0.47	1.66
ADP	ME698832	0.45	1.69
Sedoheptulose 7-phosphate	ME698888	0.46	1.68
N-Acetylglutamic acid	ME698876	0.45	1.55
ATP	ME698837	0.39	1.61
NADP+	ME698879	0.41	1.59
Trovafloxacin(-3.12)/ Daidzin(-0.48)/ Chrysophanol 8-O-beta-D-glucoside(-0.48)/ Frangulin A(-0.48)/ Puerarin(-0.48)/ Flavonol 7-O-beta-D-glucoside(-0.48)/ Tenitramine(7.2)/	ME698929	0.47	1.40
6-Phosphogluconic acid	ME698830	0.42	1.44
UTP	ME698899	0.42	1.43
FAD_divalent	ME698850	0.49	1.51
Fumaric acid	ME698853	0.52	1.48
Glucaric acid	ME698857	0.52	1.48
UDP-glucose/UDP-galactose	ME698894	0.53	1.59
Glycerol 3-phosphate	ME698862	0.54	1.58
Malic acid	ME698872	0.54	1.58
Ribulose 5-phosphate	ME698887	0.57	1.54
2;7-Anhydro-alpha-N-acetylneuraminic acid(5.97)/ 2-Deoxy-2;3-dehydro-N-acetylneuraminic acid(5.97)/ Sarmentosin epoxide(5.97)/	ME698907	0.58	1.52
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	ME698873	0.59	1.51
Glycocholic acid	ME698863	1.51	0.36
Mukaadial(-3.75)/ Rugosal(-3.75)/ Zinniol(-3.75)/ Xanthoxic acid(-3.75)/	ME698920	1.45	0.40
Citric acid	ME698842	1.71	0.47
Taurodeoxycholate(0.76)/ Taurochenodeoxycholate(0.76)/ Tauroursodeoxycholic acid(0.76)/	ME698928	1.66	0.34
D-Alanyl-D-alanine(-2.93)/ N5-Methyl-L-glutamine(-2.93)/ N-gamma-Acetyldiaminobutyrate(-2.93)/ Daminozide(-2.93)/	ME698910	1.14	0.90
3-Phenylpropionic acid	ME698827	1.08	0.89
(1R;2S)-1-Hydroxypropane-1;2;3-tricarboxylate(4.68)/ 5-Dehydro-4-deoxy-D-glucarate(4.68)/	ME698902	1.10	0.90
2-Phosphoglyceric acid	ME698825	1.11	0.89
Octanoic acid	ME698880	1.00	1.00
N2-(D-1-Carboxyethyl)-L-lysine(7.19)/	ME698923	1.00	1.00
N-(6-Aminohexanoyl)-6-aminohexanoate(5.48)/ Leucyl-leucine(5.48)/	ME698921	1.00	1.00
Glucose 1-phosphate	ME698859	0.98	1.03
N-Acetylglucosamine 6-phosphate	ME698875	0.99	1.02
3-Phosphoglyceric acid	ME698828	1.02	0.97
IMP	ME698869	1.02	0.97
Glyceric acid	ME698861	1.05	0.91
ADP-ribose	ME698834	1.04	0.95
Phosphoenolpyruvic acid	ME698884	1.06	0.94
cAMP	ME698838	1.05	0.93
Lactic acid	ME698870	1.05	0.94
L-Cystine(7.2)/ Cystine(7.2)/	ME698919	1.23	0.54
2-Hydroxyvaleric acid	ME698824	1.29	0.78
Lauric acid	ME698871	1.20	0.80
Ethanolamine phosphate	ME698849	1.16	0.80
Hexanoic acid	ME698867	1.18	0.82
Terephthalic acid	ME698891	1.20	0.75
N-Acetylglucosamine 1-phosphate	ME698874	1.20	0.74
S-Glutathionyl-L-cysteine(2.01)/	ME698927	1.21	0.74
2-Hydroxyglutaric acid	ME698823	1.23	0.71
Taurocholic acid	ME698890	1.22	0.72
cis-Aconitic acid	ME698841	1.40	0.60
1-Pyrroline-2-carboxylate(6.28)/ (S)-1-Pyrroline-5-carboxylate(6.28)/ 3;4-Dihydro-2H-Pyrrole-2-carboxylate(6.28)/ Glutarimide(6.28)/	ME698904	1.37	0.72
Erythrose 4-phosphate	ME698848	1.32	0.68
Threonic acid	ME698892	1.27	0.66

Factors:

F1	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)
F2	Tissue Type:ICC-NT (surrounded non tumor of ICC)

Data matrix