Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Comprehensive analysis of transcriptome and metabolome in Intrahepatic Cholangiocarcinoma and Hepatocellular Carcinoma (part II) (Study ST000231)

ESI negative ion mode (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