Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003794)

Reversed phase NEGATIVE ION MODE (Analysis AN006236)

Metabolite	Structure	F1	F2	F3	F4
4-Pyridoxate	ME1002221	0.12	0.28	3.52	3.40
Pyridoxal	ME1002220	0.18	0.36	3.16	3.54
3-Methyl-2-Oxobutanoate (ketoacid of Val)	ME1002204	0.43	1.69	1.50	1.36
4-Methyl-2-Oxpentanoate/(S)-3-Methyl-2-Oxopentanoic Acid (ketoacids of Ile and Leu)	ME1002203	0.27	1.74	1.74	1.65
dAMP	ME1002208	1.16	1.00	0.77	0.48
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	ME1002275	1.20	1.07	0.54	0.50
a-Linolenic acid (Octadecatrienoic acid)	ME1002276	1.23	1.00	0.54	0.52
Octadecenoic acid (Oleic acid)	ME1002274	1.26	0.98	0.50	0.51
CDP	ME1002211	1.36	0.49	0.64	1.09
ATP	ME1002206	1.28	0.70	0.73	0.74
L-cystine	ME1002205	1.28	0.59	0.85	0.85
Tetradecenoic acid (myristoleic acid)	ME1002273	1.54	0.60	0.33	0.30
Cytidine	ME1002212	1.62	0.35	0.42	0.37
GTP	ME1002209	1.52	0.42	0.39	0.25
3-Sulfocatechol	ME1002260	1.38	0.73	0.53	0.48
Citrate	ME1002243	1.54	0.39	0.53	0.52
2/3-Phospho-D-glycerate	ME1002233	1.40	0.58	0.64	0.58
Nicotinate ribonucleotide	ME1002223	1.42	0.51	0.65	0.67
2-Hydroxyglutarate/Citramalate	ME1002248	1.03	1.09	0.91	0.73
D-Rhamnose	ME1002241	1.15	0.97	0.73	0.69
UTP	ME1002213	1.12	1.06	0.71	0.72
N-Acetylornithine	ME1002257	1.08	1.00	0.87	0.76
D-Arabitol	ME1002242	1.14	0.92	0.80	0.82
Hexadecanoic acid (palmitic acid)	ME1002272	1.11	0.94	0.85	0.82
Heptanoic acid	ME1002269	1.12	0.90	0.96	0.68
Hemine	ME1002278	1.06	0.89	1.07	0.84
1-3-Bisphosphoglycerate	ME1002232	1.11	0.83	0.97	0.94
Phosphoenolpyruvate	ME1002234	1.13	0.82	0.93	0.91
Indole-3-acetate	ME1002263	1.09	0.92	0.90	0.90
Succinate	ME1002245	1.09	0.91	0.95	0.82
Maltose	ME1002237	0.92	0.93	1.21	1.28
ADP	ME1002207	1.02	0.83	1.11	1.17
Maltotriose	ME1002238	1.00	0.82	1.16	1.24
UDP	ME1002214	1.15	0.61	1.09	1.07
3-Methyleneoxindole	ME1002262	1.07	0.78	1.13	0.99
Octanoic acid (caprylate)	ME1002270	1.09	0.75	1.09	1.05
3^,5^-Cyclic IMP	ME1002218	1.10	0.78	0.99	1.06
D-Ribose	ME1002240	1.05	0.89	0.96	1.07
N-Acetylneuraminate	ME1002254	0.80	1.12	1.33	1.17
D-Fructose 1-6-bisphosphate	ME1002230	0.80	1.27	1.15	1.10
IMP	ME1002216	0.83	1.18	1.19	1.12
5-Oxoproline	ME1002253	0.85	1.19	1.09	1.16
glycine	ME1002202	0.83	1.22	1.05	1.26
6-Phospho-D-gluconate	ME1002249	0.89	1.28	0.95	0.91
UDP-glucose	ME1002224	0.87	1.27	1.01	0.93
Urate	ME1002217	0.89	1.20	1.02	1.03
NADP+	ME1002225	0.93	1.12	1.05	0.95
Phosphate	ME1002226	0.89	1.13	1.12	1.04
Fumarate	ME1002246	0.97	1.00	1.11	0.96
Malate	ME1002247	0.99	0.97	1.10	0.96
D-Glucose	ME1002228	1.00	0.92	1.09	1.04
Nonanoic acid (pelargonate)	ME1002271	1.02	0.90	1.11	0.96
Ethanolamine phosphate	ME1002267	0.89	1.07	1.18	1.13
1-4-beta-D-Xylan	ME1002255	0.95	0.95	1.20	1.07
2-Aminomuconate	ME1002264	0.93	1.03	1.14	1.03
IDP	ME1002215	1.07	0.96	0.82	1.08
trans-4-Hydroxy-L-proline	ME1002258	0.96	1.06	0.98	1.08
Glycerol 3-phosphate	ME1002266	0.99	1.10	0.91	0.96
Lactate	ME1002236	1.01	1.03	0.97	0.92
N-Succinyl-L-glutamate 5-semialdehyde	ME1002259	1.02	1.00	0.97	0.92
5-Hydroxyindoleacetate	ME1002261	0.60	1.78	1.03	1.00
Mannitol	ME1002239	0.82	1.41	0.95	0.96
Sedoheptulose 1-phosphate	ME1002251	0.76	1.50	1.02	0.90
D-Glucose 6-phosphate	ME1002229	0.73	1.46	1.05	1.12
alpha-D-Ribose 1-phosphate	ME1002252	0.66	1.55	1.18	1.05
Pyruvate	ME1002235	0.68	1.60	1.06	1.03
GDP	ME1002210	0.83	1.59	0.72	0.79
UDP-N-acetyl-D-glucosamine	ME1002256	0.78	1.70	0.62	0.99
Quinolinic Acid	ME1002265	0.96	1.26	0.94	0.54
Pyridoxamine 5^-phosphate	ME1002222	1.01	1.43	0.51	0.65
(8Z-11Z-14Z)-Icosatrienoic acid	ME1002277	1.04	1.22	0.71	0.66
D-Erythrose 4-phosphate	ME1002250	0.96	1.36	0.68	0.82
Diphosphate	ME1002227	0.89	1.38	0.87	0.80
5^-Phosphoribosyl-N-formylglycinamide	ME1002219	1.03	0.49	1.30	1.26
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME1002231	0.69	1.24	1.37	1.44
2-Oxoglutarate	ME1002244	0.81	0.83	1.61	1.40
Sphingosine 1-phosphate	ME1002268	0.71	1.03	1.63	1.39

Factors:

F1	Disease state:Healthy control
F2	Disease state:MSUD
F3	Disease state:MSUD with transplant
F4	Disease state:Pool of MSUD with transplant

Data matrix