Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002541)

HILIC NEGATIVE ION MODE (Analysis AN004187)

Metabolite	Structure	F1	F2	F3	F4	F5
Ureidosuccinic acid	ME616476	2.76	0.10	0.78	0.39	0.97
2,4-Dihydroxybenzoic acid	ME616456	0.93	1.26	1.01	0.60	1.19
succinyl-CoA	ME616578	1.02	1.42	0.63	1.10	0.66
S-Adenosylhomocysteine	ME616529	1.23	0.82	0.48	1.25	1.22
Citicoline	ME616553	0.74	0.96	0.65	1.51	1.13
N-Acetyl-glucosamine 1-phosphate	ME616516	0.95	1.33	0.62	1.07	1.03
myo-Inositol	ME616479	0.99	1.06	0.98	1.04	0.92
Succinic acid	ME616432	0.41	1.42	0.60	1.45	1.12
dGDP	ME616542	0.72	1.07	0.86	1.36	1.00
Oxoglutaric acid	ME616449	1.10	1.30	1.20	0.66	0.74
Kynurenic acid	ME616485	0.95	1.01	0.49	1.23	1.31
Shikimic acid	ME616471	1.20	0.77	NA	0.76	1.05
Pyruvic acid	ME616423	0.97	1.01	0.97	1.07	0.98
Aminoadipic acid	ME616460	2.92	0.14	0.31	0.37	1.26
acetoacetate	ME616425	0.90	0.83	0.83	1.37	1.07
Cellobiose	ME616526	0.25	2.12	0.38	1.18	1.07
CDP-Ethanolamine	ME616545	0.42	1.80	0.48	1.13	1.17
Guanidoacetic acid	ME616431	NA	1.52	0.69	0.95	1.20
D-Erythrose 4-phosphate	ME616491	1.08	1.08	1.02	0.93	0.88
Flavin Mononucleotide	ME616546	1.21	0.67	1.00	1.16	0.96
Phenylpyruvic acid	ME616462	0.87	1.11	1.04	1.15	0.83
Thiamine pyrophosphate	ME616539	0.07	1.67	NA	NA	1.26
Ortho-Hydroxyphenylacetic acid	ME616455	1.00	1.35	0.93	0.86	0.85
cis-Aconitic acid	ME616472	0.24	3.59	0.21	0.45	0.51
Trehalose 6-phosphate	ME616538	0.43	0.89	1.62	1.33	0.73
Deoxyuridine	ME616498	1.00	1.16	1.01	0.89	0.94
Acetylphosphate	ME616447	1.03	1.15	1.06	0.84	0.93
Carbamoyl phosphate	ME616448	0.06	1.97	0.16	1.64	1.16
Shikimate 3-phosphate	ME616503	1.56	1.34	0.19	0.87	1.05
Sedoheptulose 1,7-bisphosphate	ME616515	1.06	1.23	0.88	0.98	0.85
Uridine diphosphate glucose	ME616559	0.49	1.59	0.63	1.30	0.99
NADP	ME616569	0.85	0.98	1.17	1.23	0.78
octulose-1_8-bisphosphate	ME616533	0.94	1.19	1.06	0.92	0.90
Maleic acid	ME616429	1.09	1.24	0.94	0.80	0.93
Geranyl-PP	ME616519	1.30	0.91	1.13	1.01	0.77
dUMP	ME616518	1.34	0.72	0.96	0.87	1.11
Uracil	ME616427	0.18	1.77	0.07	1.38	1.59
2-Oxo-4-methylthiobutanoic acid	ME616451	1.62	0.92	1.16	0.55	0.76
Uric acid	ME616467	0.68	2.03	0.49	1.31	0.49
Allantoin	ME616459	1.80	0.73	NA	0.83	0.65
Phenylpropiolic acid	ME616450	0.89	1.10	1.02	1.14	0.90
Citric acid	ME616488	0.75	0.11	0.86	2.42	0.23
Octulose?8-Phosphate	ME616520	1.28	0.69	0.88	1.12	1.03
D-2-Hydroxyglutarate	ME616581	1.74	0.66	0.47	1.04	1.09
Cholesterol sulfate	ME616547	0.80	1.20	0.89	0.81	1.30
Glucose 6-phosphate	ME616507	1.10	1.10	0.96	0.93	0.90
Taurine	ME616436	1.02	1.00	0.76	1.77	0.45
Ascorbic acid	ME616474	0.82	1.39	0.83	1.18	0.78
2,3-Diphosphoglyceric acid	ME616510	0.73	1.48	0.87	1.35	0.58
CDP	ME616535	0.55	1.86	0.70	1.33	0.57
Cyclic AMP	ME616522	0.20	0.46	0.30	3.57	0.46
p-Aminobenzoic acid	ME616445	NA	0.96	1.15	0.96	1.04
Citramalic acid	ME616452	2.00	0.55	0.58	0.74	1.13
Glucose 1-phosphate	ME616506	0.79	1.18	0.79	1.14	1.11
2-Isopropylmalic acid	ME616475	2.56	0.25	0.39	0.64	1.16
2-deoxyglucose-6-phosphate	ME616580	0.85	0.97	0.75	0.73	1.35
Thymidine	ME616500	1.06	1.35	0.74	1.13	0.72
Xanthosine	ME616514	0.17	0.94	0.08	2.25	1.57
Xanthurenic acid	ME616492	1.58	0.78	0.99	0.68	0.57
Glyceric acid	ME616426	0.51	1.36	0.57	1.61	0.95
Vanillylmandelic acid	ME616463	0.88	0.66	1.16	1.19	1.12
4-Hydroxyphenylpyruvic acid	ME616480	0.77	1.09	0.92	1.31	0.94
Trehalose	ME616525	0.02	2.47	0.13	1.25	1.14
ADP	ME616541	0.74	1.03	0.91	1.34	0.99
Oxalacetic acid	ME616441	0.66	1.28	0.92	1.25	0.89
dCDP	ME616530	0.91	0.96	1.02	1.19	0.92
2-Keto-L-gluconate	ME616489	1.28	0.62	0.58	1.12	1.39
Deoxycholic acid	ME616532	0.66	1.03	1.35	1.15	0.86
Glycerol 3-phosphate	ME616470	1.72	0.51	0.50	1.57	0.71
3-Phosphoglyceric acid	ME616483	1.31	0.99	1.62	0.70	0.38
Adenosine phosphosulfate	ME616540	1.16	1.15	1.03	0.69	0.95
Indole-3-carboxylic acid	ME616461	0.15	1.47	0.26	1.56	1.57
Indoleacrylic acid	ME616484	0.69	1.02	2.06	0.72	0.51
Deoxyribose 1-phosphate	ME616495	0.58	1.26	0.42	1.52	1.21
D-Glyceraldehyde 3-phosphate	ME616469	1.87	0.39	0.98	0.86	0.90
Pantothenic acid	ME616496	0.42	0.63	1.04	1.99	0.91
5-Thymidylic acid	ME616521	0.86	0.71	1.02	1.63	0.79
Fructose 6-phosphate	ME616508	1.19	1.07	0.99	0.87	0.88
Pyroglutamic acid	ME616437	0.50	1.09	0.64	1.97	0.80
6-Phosphonoglucono-D-lactone	ME616504	0.83	1.10	0.82	1.29	0.95
4,5-Dihydroorotic acid	ME616458	0.97	1.22	0.90	1.04	0.87
Quinolinic acid	ME616465	0.47	1.20	0.61	1.55	1.17
L-Lactic acid	ME616424	0.81	1.37	0.85	1.02	0.94
dGTP	ME616557	0.52	0.65	1.66	1.35	0.81
hexose-phosphate	ME616505	1.12	1.05	0.97	0.97	0.90
Uridine triphosphate	ME616552	0.47	1.20	1.28	1.18	0.88
Guanosine 3^,5^-bis(diphosphate)	ME616562	1.12	1.13	0.77	0.97	NA
NA	ME616486	0.92	1.65	0.26	0.99	1.18
Hypoxanthine	ME616444	0.03	1.86	0.04	1.27	1.80
NAD	ME616565	0.85	1.10	0.86	1.17	1.01
Guanosine diphosphate	ME616544	0.65	0.90	NA	NA	1.45
IDP	ME616543	0.72	1.04	0.87	1.37	1.00
Hydroxyisocaproic acid	ME616442	0.92	1.44	0.90	0.96	0.77
Oxidized glutathione	ME616564	1.02	0.90	0.64	1.22	1.22
Ribose 1-phosphate	ME616499	0.91	0.87	0.63	1.34	1.25
Fructose 1,6-bisphosphate	ME616523	0.97	1.35	0.61	1.13	0.94
Orotic acid	ME616457	2.73	0.07	0.76	0.40	1.04
Gluconolactone	ME616478	0.81	0.58	0.98	1.11	1.78
Gluconic acid	ME616490	1.70	0.44	0.73	1.08	1.04
Glycolate	ME616422	0.97	1.08	1.28	1.07	0.60
Methylmalonic acid	ME616433	0.41	1.43	0.59	1.47	1.10
3-Methylphenylacetic acid	ME616453	0.73	1.47	1.20	0.99	0.61
Uridine diphosphate-N-acetylglucosamine	ME616563	1.01	1.09	0.98	1.02	0.89
Allantoic acid	ME616473	1.05	0.55	0.91	1.41	1.07
Adenosine triphosphate	ME616556	0.45	1.10	1.87	1.11	0.48
S-Ribosyl-L-homocysteine	ME616511	0.55	0.44	0.33	3.18	0.50
Nicotinic acid	ME616435	0.34	0.91	1.41	1.43	NA
NADH	ME616566	1.04	0.58	0.82	1.22	1.34
Phenyllactic acid	ME616464	0.19	1.64	0.33	1.64	1.20
13C-Xanthine	ME616585	NA	1.20	NA	0.88	0.93
4-Pyridoxic acid	ME616482	1.29	0.80	1.14	0.83	0.95
6-Phosphogluconic acid	ME616513	1.72	0.38	0.70	1.30	0.90
Cholic acid	ME616537	0.62	1.01	0.89	1.32	1.17
4-Hydroxybenzoic acid	ME616446	0.93	1.12	1.27	0.91	0.77
Isocitric acid	ME616487	1.78	0.64	0.81	0.83	0.82
Uridine	ME616501	0.02	1.88	0.05	1.40	1.65
Xanthine	ME616454	0.20	1.24	0.13	2.15	1.28
Sucrose	ME616524	0.02	2.57	0.12	1.26	1.04
Dihydroxyacetone phosphate	ME616468	1.85	0.40	0.93	0.91	0.91
Fumaric acid	ME616428	0.39	1.54	0.33	1.48	1.26
Citraconic acid	ME616438	0.91	1.29	1.05	1.01	0.73
Taurodeoxycholic acid	ME616555	0.56	0.85	0.93	1.62	1.10
13C-taurine	ME616584	1.14	0.96	1.09	0.91	0.88
N-Acetyl-L-alanine	ME616440	0.45	1.29	0.35	1.98	0.94
L-Malic acid	ME616443	0.33	1.59	0.35	1.52	1.21
NADPH	ME616570	0.62	0.58	1.31	1.44	1.04
Alpha-ketoisovaleric acid	ME616430	0.36	1.54	0.31	1.52	1.26
Inosine	ME616512	0.03	1.86	0.04	1.41	1.66
L-Homocysteic acid	ME616481	0.15	0.90	0.60	2.30	1.05
Pyrophosphate	ME616477	1.41	0.94	0.57	1.07	1.01
Glyceric acid 1,3-biphosphate	ME616509	0.98	1.26	1.04	0.87	0.86
Glyoxylic acid	ME616421	0.95	1.15	0.96	1.12	0.82
2-Ketohexanoic acid	ME616439	1.53	0.85	0.54	1.03	1.05
Farnesyl-PP	ME616528	1.28	1.55	0.58	0.80	0.80
dCTP	ME616548	NA	0.89	0.90	NA	1.31
Glucaric acid	ME616494	0.48	2.45	0.38	0.71	0.98
Orotidylic acid	ME616527	0.72	1.13	1.29	0.70	1.17
Glutathione	ME616517	1.34	0.66	0.47	1.09	1.43
Phosphoenolpyruvic acid	ME616466	0.73	0.71	0.85	1.56	1.14
Prephenate	ME616497	0.98	1.17	0.79	0.91	NA

Factors:

F1	Sample Type:0h
F2	Sample Type:15h
F3	Sample Type:2h
F4	Sample Type:4h
F5	Sample Type:6h

Data matrix