Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Comprehensive analysis of transcriptome and metabolome in Intrahepatic Cholangiocarcinoma and Hepatocellular Carcinoma (Study ST000230)

ESI negative ion mode (Analysis AN000343)

Metabolite	Structure	F1	F2	F3	F4
Phthalic acid	ME698507	0.30	0.65	0.32	3.00
5-Hydroxypentanoate	ME698552	0.29	0.25	1.91	1.09
Adipic acid	ME698453	0.76	0.68	2.61	0.49
Ascorbic acid	ME698458	0.58	0.72	2.17	0.30
N-Acetylaspartic acid	ME698495	0.87	0.48	2.14	0.51
Pterin/ 3-Hydroxy-L-glutamate/ 4-Hydroxy-L-glutamate/ L-erythro-4-Hydroxyglutamate	ME698530	0.22	NA	1.78	NA
Fructose 1,6-diphosphate	ME698470	0.34	0.72	1.47	NA
Valeric acid	ME698523	0.94	1.01	1.13	NA
CoA_divalent	ME698465	2.56	1.13	0.30	0.66
N-Acetylglutamic acid	ME698498	2.03	0.82	0.23	0.92
Isopimpinellin/ Glycerophosphoglycerol/ 2,3^,4,6-Tetrahydroxybenzophenone/ Pimpinellin	ME698537	2.10	0.66	0.61	0.64
Taurocholic acid	ME698514	2.30	0.89	0.32	0.48
Taurodeoxycholate/ Taurochenodeoxycholate/ Tauroursodeoxycholic acid	ME698528	2.15	0.93	0.37	0.44
6-endo-Hydroxycineole(1.76); (E)-3,7-Dimethylocta-1,6-diene-3,8-diol(1.76); Limonene-1,2-diol(1.76); (+)-Neomatatabiol(1.76);	ME698551	0.13	1.56	0.19	NA
Evoxanthidine	ME698543	0.34	2.42	0.29	0.72
Psorospermin(0)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine/ Methylophiopogonone A(0)	ME698531	0.69	0.72	0.80	1.63
(S)-N-Methylcanadine	ME698557	0.52	0.76	0.71	2.01
Hexanoic acid	ME698486	0.84	1.66	0.75	0.75
ADP	ME698454	1.08	1.61	0.57	0.74
ATP	ME698459	1.04	1.57	0.57	0.82
D-Xylonate/ L-Arabinonate/ D-Arabinonate/ D-Ribonate/ L-Xylonate/ L-Lyxonate/ 7-Methylxanthine(8)/ 3-Methylxanthine(8)/ 1-Methylxanthine(8)	ME698545	1.02	1.54	0.56	0.88
Acetyl CoA_divalent	ME698451	1.34	1.71	0.58	0.48
Adenylosuccinic acid	ME698452	1.13	1.85	0.40	0.62
Ribose 5-phosphate	ME698510	0.30	1.26	0.94	1.49
Xanthosine	ME698525	0.37	1.27	0.98	1.37
D-Xylulose 5-phosphate/alpha-D-Ribose 1-phosphate/D-Arabinose 5-phosphate	ME698544	0.67	1.19	0.46	1.16
Trovafloxacin/ Daidzin/ Chrysophanol 8-O-beta-D-glucoside/ Frangulin A/ Puerarin/ Flavonol 7-O-beta-D-glucoside/ Tenitramine	ME698526	0.50	1.20	0.77	1.53
Malic acid	ME698493	0.56	1.30	0.79	1.35
GDP-glucose/GDP-mannose/GDP-galactose	ME698474	0.74	1.24	0.67	1.35
Uric acid	ME698521	0.71	1.30	0.66	1.33
Hyoscyamine methylbromide	ME698539	0.46	1.42	0.50	1.62
IMP	ME698489	0.56	1.66	0.56	1.22
Phosphocreatine	ME698505	0.57	1.63	0.48	1.31
2,7-Anhydro-alpha-N-acetylneuraminic acid/ 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid/ Sarmentosin epoxide	ME698555	0.64	1.50	0.60	1.26
D-myo-Inositol 1,2-cyclic phosphate/ 6-Deoxy-5-ketofructose 1-phosphate	ME698546	0.50	1.46	0.61	1.42
Fumaric acid	ME698472	0.57	1.45	0.64	1.34
NAD+	ME698500	0.95	1.48	0.30	1.27
Succinic acid	ME698513	0.88	1.35	0.39	1.38
Glycerol 3-phosphate	ME698481	0.65	1.59	0.30	1.46
FAD_divalent	ME698469	0.74	1.53	0.44	1.28
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate	ME698494	0.73	1.56	0.36	1.34
Sedoheptulose 7-phosphate	ME698512	0.62	1.99	0.36	1.03
UDP-glucose/UDP-galactose	ME698517	0.81	1.69	0.35	1.15
UMP	ME698520	0.68	1.81	0.37	1.13
UTP	ME698522	0.26	1.97	0.53	1.12
Inosine/ 2(alpha-D-Mannosyl)-D-glycerate	ME698538	0.52	1.50	0.84	1.14
Ribulose 5-phosphate	ME698511	0.47	1.60	0.76	1.17
6-Phosphogluconic acid	ME698450	0.58	1.68	0.66	1.03
Alatolide/ Arctiopicrin	ME698549	0.50	1.61	0.70	0.94
(5-L-Glutamyl)-L-glutamine/ N-Succinyl-L-citrulline	ME698558	0.38	1.75	0.79	1.07
UDP	ME698516	0.32	1.58	0.76	0.96
1-Pyrroline-2-carboxylate/ (S)-1-Pyrroline-5-carboxylate/ 3,4-Dihydro-2H-Pyrrole-2-carboxylate/ Glutarimide	ME698556	1.35	1.29	0.70	0.62
5-Oxoproline	ME698449	1.28	1.17	0.76	0.79
2,3-Diphosphoglyceric acid	ME698441	1.36	0.94	0.98	0.65
Threonic acid	ME698515	1.45	0.90	0.99	0.66
CDP-choline	ME698461	1.35	1.06	0.88	0.72
GMP	ME698483	1.49	1.11	0.75	0.66
UDP-N-acetylglucosamine	ME698519	1.47	1.04	0.79	0.70
3-Hydroxybutyric acid	ME698446	1.52	1.32	0.45	0.71
CMP	ME698464	1.63	1.10	0.53	0.74
Glucaric acid	ME698475	1.59	0.75	0.81	0.81
2-Hydroxyglutaric acid	ME698443	1.76	0.87	0.68	0.64
S-Glutathionyl-L-cysteine	ME698529	1.70	0.86	0.61	0.83
D-Glucosamine 6-phosphate(-1.15); 1-Amino-1-deoxy-scyllo-inositol 4-phosphate(-1.15); D-Galactosamine 1-phosphate(-1.15);	ME698547	1.80	0.94	0.39	0.88
Homovanillic acid	ME698488	1.75	0.92	0.48	0.85
NADP+	ME698501	1.13	1.29	0.29	1.18
Glycocholic acid	ME698482	1.12	1.21	0.57	1.10
Fructoselysine 6-phosphate(-7)	ME698542	1.25	1.26	0.49	1.00
Isosorbide mononitrate/ O-Oxalylhomoserine/ Nitrilotriacetic acid	ME698536	1.22	1.38	0.45	0.96
Thiomorpholine 3-carboxylate	ME698527	1.08	1.08	0.39	1.65
Gluconic acid	ME698476	1.10	0.90	0.61	1.40
Hippuric acid	ME698487	1.11	0.87	0.59	1.30
3-Sulfino-L-alanine	ME698553	1.48	0.54	1.38	0.41
Citric acid	ME698463	1.50	0.80	1.46	0.24
Ethanolamine phosphate	ME698468	0.94	0.75	1.61	0.71
2-Hydroxyvaleric acid	ME698444	1.13	0.86	1.38	0.73
Isethionic acid	ME698490	1.24	0.71	1.28	0.71
Glycyl-leucine/ N6-Acetyl-L-lysine/ 6-Acetamido-3-aminohexanoate/ N2-Acetyl-L-lysine	ME698540	1.20	0.77	1.19	0.81
Lactic acid	ME698491	1.28	0.72	1.19	0.81
3-Phosphoglyceric acid	ME698448	0.63	1.39	0.94	0.84
GTP	ME698484	0.63	1.41	1.01	0.89
GDP	ME698473	0.63	1.38	1.23	0.76
Glucose 6-phosphate	ME698478	0.43	1.52	1.21	0.84
Fructose 6-phosphate	ME698471	0.35	1.40	1.43	0.83
2-Phosphoglyceric acid	ME698445	0.35	0.98	1.30	0.91
Dihydroxyacetone phosphate	ME698467	0.52	1.19	1.41	0.94
Phosphoenolpyruvic acid	ME698506	0.39	1.18	1.35	0.86
N-(6-Aminohexanoyl)-6-aminohexanoate/ Leucyl-leucine	ME698535	0.57	0.67	1.31	1.46
N2-(D-1-Carboxyethyl)-L-lysine	ME698534	0.81	0.79	1.15	1.22
3-Phenylpropionic acid	ME698447	0.83	0.83	1.32	1.02
gamma-L-Glutamyl-D-alanine	ME698541	0.75	0.91	1.22	1.12
Decanoic acid	ME698466	0.80	1.09	1.37	0.87
Lauric acid	ME698492	0.80	1.20	1.22	0.78
Glucose 1-phosphate	ME698477	0.77	1.12	1.18	0.93
Octanoic acid	ME698502	0.66	1.15	1.27	0.92
(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate(0.78); 5-Dehydro-4-deoxy-D-glucarate(0.78); 2,5-Didehydro-D-gluconate(0.78);	ME698559	0.91	1.24	1.00	0.82
Glyceric acid	ME698480	0.93	1.21	0.98	0.88
Pyruvic acid	ME698509	1.00	1.10	1.02	0.68
UDP-glucuronic acid	ME698518	1.07	1.06	1.23	0.64
D-Alanyl-D-alanine/ N5-Methyl-L-glutamine/ N-gamma-Acetyldiaminobutyrate/ Daminozide	ME698548	1.03	0.89	1.06	1.02
N-Acetylglucosamine 1-phosphate	ME698496	1.14	0.88	1.10	0.88
N-Acetylglucosamine 6-phosphate	ME698497	1.09	0.97	1.05	0.89
2-Phosphinomethylmalate	ME698554	1.11	1.06	0.72	1.05
ADP-glucose/GDP-fucose	ME698455	1.15	0.96	0.89	0.99
Pelargonic acid	ME698504	0.68	1.13	1.08	1.12
Ascorbate 2-sulfate	ME698457	0.74	1.22	0.95	1.09
Heptanoic acid	ME698485	0.70	1.31	0.99	1.12
cAMP	ME698460	0.86	1.00	0.94	1.20
N-Acetyl-L-citrulline	ME698533	0.91	1.01	0.85	1.23
Orthophosphate/ Potassium acetate	ME698532	0.91	1.15	0.94	1.00
N-Acetylneuraminic acid	ME698499	0.95	1.05	0.91	1.09
Pantothenic acid	ME698503	0.89	1.08	0.91	1.12
Glucuronic acid	ME698479	0.85	1.22	0.77	1.05
Xanthine	ME698524	0.86	1.23	0.82	1.08
2-Hydroxybutyric acid	ME698442	1.01	1.24	0.78	0.97
AMP	ME698456	0.97	1.34	0.66	1.03

Factors:

F1	Tissue Type:HCC (Hepatocellular carcinoma)
F2	Tissue Type:HCC-NT (surrounded non tumor of HCC)
F3	Tissue Type:ICC (Intrahepatic cholangiocarcinoma)
F4	Tissue Type:ICC-NT (surrounded non tumor of ICC)

Data matrix