Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003332)

(Analysis AN005458)

Metabolite	Structure	F1	F2	F3
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	ME873059	0.60	4.74	0.36
Pyruvate	ME873000	0.59	4.41	0.45
N-Acetyl-L-citrulline	ME873029	0.05	6.51	0.34
a-Linolenic acid (Octadecatrienoic acid)	ME873060	0.44	6.35	0.08
Dimethylglycine	ME873022	0.32	6.18	0.22
Sedoheptulose 1-phosphate	ME873011	2.33	0.20	0.20
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid)	ME873065	2.45	0.03	0.15
Arachidonic acid (Eicosatetraenoic acid)	ME873061	2.36	0.10	0.20
Docosahexaenoic acid	ME873062	2.35	0.01	0.23
2-Aminomuconate	ME873042	0.17	0.10	1.84
N-Acetylneuraminate	ME873025	0.07	NA	1.31
Fumarate	ME873008	0.50	0.78	1.43
Pyridoxal	ME872996	0.72	0.77	1.27
Heptanoic acid	ME873048	0.96	0.73	1.10
Octadecenoic acid (Oleic acid)	ME873058	1.06	0.72	1.03
Bis-gamma-glutamylcystine	ME873020	1.00	0.45	1.13
Glycerol 3-phosphate	ME873044	0.98	0.54	1.13
Tetradecenoic acid (myristoleic acid)	ME873056	1.00	0.62	1.10
Butanoic/Butyric acid	ME873045	0.91	0.35	1.23
Thiosulfate	ME873037	0.74	0.51	1.32
4-Acetamidobutanoate	ME873028	0.87	0.51	1.22
Hexanoic acid (caproate)	ME873047	0.82	0.55	1.25
Pentanoate (valerate)	ME873046	0.81	0.58	1.25
Succinate	ME873007	0.58	0.11	1.53
2-Oxoglutarate	ME873006	0.60	0.01	1.55
Malate	ME873009	0.52	0.04	1.60
gamma-Glutamyl-gamma-aminobutyrate	ME873019	0.86	0.00	1.35
trans-4-Hydroxy-L-proline	ME873032	0.84	0.07	1.36
5-Hydroxyindoleacetate	ME873039	0.73	0.06	1.36
Lactate	ME873001	0.77	0.02	1.42
N-Succinyl-L-glutamate 5-semialdehyde	ME873033	0.71	0.00	1.46
Thiocysteine	ME873036	0.71	0.01	1.46
Guanosine	ME872988	1.18	0.20	1.00
Xanthine	ME872994	0.99	0.02	1.25
1-4-beta-D-Xylan	ME873027	1.03	0.14	1.19
2-Hydroxyglutarate/Citramalate	ME873010	1.00	0.10	1.22
dTMP	ME872990	0.91	1.37	0.98
D-Glucose	ME872998	1.20	1.48	0.73
Guanidinoacetate	ME873031	1.18	1.27	0.80
D-4--Phosphopantothenate	ME873034	1.21	1.30	0.77
D-Ribose	ME873003	1.21	1.31	0.76
5-Oxoproline	ME873014	1.13	1.33	0.82
dCMP	ME872989	1.14	1.37	0.80
D-Arabitol	ME873004	1.06	1.39	0.86
N-formyl kynurenine	ME873041	1.09	1.36	0.84
gamma-L-Glutamyl-L-cysteine	ME873017	1.03	1.44	0.87
Glutathione	ME873013	1.08	1.50	0.81
Indolepyruvate	ME873040	1.13	1.45	0.79
Hexadecanoic acid (palmitic acid)	ME873054	1.09	0.97	0.94
Octadecanoic acid (stearic acid)	ME873055	1.06	0.99	0.96
Decanoic acid (capric acid)	ME873051	1.04	0.90	0.99
Nonanoic acid (pelargonic acid)	ME873050	1.06	0.90	0.98
Dodecanoic acid (lauric acid)	ME873052	1.01	0.89	1.02
Phosphoserine	ME873023	1.01	0.94	1.01
Mannitol	ME873002	1.09	1.24	0.87
(5-L-Glutamyl)-L-glutamine	ME873021	0.99	1.10	0.98
alpha-D-Glucosamine 1-phosphate	ME873026	1.03	1.11	0.95
Dehydroascorbate	ME873016	1.01	1.12	0.96
Diphosphate	ME872997	1.05	1.19	0.91
UDP	ME872992	1.06	1.14	0.92
Tetradecanoic acid (myristic acid)	ME873053	1.27	1.06	0.79
Octanoic acid (caprylic acid)	ME873049	1.26	0.69	0.88
Thymine	ME872991	1.25	0.76	0.87
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME872999	1.18	0.89	0.89
Hexadecenoic acid (Palmitoleic acid)	ME873057	1.24	0.87	0.85
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid)	ME873064	1.72	0.10	0.69
5-6-Dihydrothymine	ME872995	1.48	0.40	0.79
Citrate	ME873005	1.32	0.53	0.88
Eicosapentaenoic acid	ME873063	1.81	0.48	0.53
S-Glutathionyl-L-cysteine	ME873015	1.61	0.68	0.62
L-cystine	ME872987	1.95	1.82	0.08
Inosine	ME872993	1.03	2.38	0.64
gamma-L-Glutamyl-D-alanine	ME873018	0.79	2.51	0.78
N-Acetylornithine	ME873030	0.71	2.67	0.80
5-Phospho-alpha-D-ribose 1-diphosphate	ME873012	1.46	2.33	0.32
Mercaptopyruvate	ME873035	1.30	2.31	0.44
10-Formyltetrahydrofolate	ME873024	1.15	2.00	0.64
2S-5S-Methionine sulfoximine	ME873038	1.10	1.76	0.73
Hydroxyindole-acetylglycine	ME873043	1.11	1.79	0.72

Factors:

F1	Disease state:AMC \| Sample source:cell culture supernatant
F2	Disease state:no cell ctrl \| Sample source:cell culture supernatant
F3	Disease state:PMS \| Sample source:cell culture supernatant

Data matrix