Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003298)

(Analysis AN005402)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9
Cystine	ME864898	0.46	0.24	0.14	4.80	0.20	0.04	0.73	1.40	NA
Urocanic acid	ME865021	0.63	0.50	0.39	4.21	0.51	1.24	0.32	0.65	0.55
Glycerol	ME864917	0.30	4.49	0.35	0.37	0.53	0.59	1.29	0.49	0.60
Imidazole-4-methanol	ME864938	0.23	3.93	0.72	0.73	0.49	1.10	0.69	0.73	0.38
Histamine	ME864930	0.25	0.61	4.10	1.06	0.60	0.51	0.84	0.61	0.42
Guanine	ME864923	0.41	0.61	1.63	0.20	2.34	2.16	0.57	0.62	0.46
Glucosamine	ME864911	2.51	0.46	0.46	0.83	0.27	1.06	1.35	1.57	0.49
N-(1-Deoxy-1-fructosyl)valine	ME864950	2.62	0.47	NA	0.78	NA	0.74	0.52	0.86	NA
Glutathione (GSSG)_divalent	ME864914	0.44	1.23	2.39	0.04	0.38	0.34	2.28	1.51	0.39
Cysteine glutathione disulfide	ME864897	0.59	0.86	0.99	0.93	0.60	0.19	2.49	2.19	0.17
Glycerophosphocholine	ME864918	0.27	0.73	0.75	0.48	0.80	0.87	2.12	1.96	1.01
Thiaproline	ME865004	1.10	0.40	0.36	3.47	0.69	0.16	1.29	1.26	0.28
Glucosaminic acid	ME864912	1.23	0.89	0.50	2.21	0.73	0.65	1.05	1.34	0.39
Thr	ME865005	0.72	0.57	0.40	2.89	0.87	0.81	0.91	1.45	0.37
1-Methyl-4-imidazoleacetic acid	ME864850	0.57	1.04	0.76	2.15	0.54	1.80	0.68	0.86	0.58
Met	ME864947	0.64	0.40	0.46	2.10	1.21	1.93	1.08	0.57	0.61
Uracil	ME865019	0.51	0.78	0.83	2.19	2.00	1.52	0.43	0.34	0.39
γ-Glu-Met	ME865046	0.99	0.67	0.70	2.58	1.76	0.81	0.44	0.25	0.82
Cadaverine	ME864888	0.43	0.71	1.23	3.10	1.45	1.07	0.40	0.40	0.21
Hypoxanthine	ME864936	0.44	0.24	0.51	3.02	1.27	1.56	0.79	0.84	0.33
S-Methylglutathione	ME864997	NA	NA	0.78	NA	0.52	1.26	1.60	0.84	NA
Ergothioneine	ME864903	NA	0.01	NA	1.43	1.31	1.01	1.24	NA	NA
Tryptamine	ME865015	NA	NA	1.34	1.32	0.77	0.87	0.70	NA	NA
2,4-Diaminobutyric acid	ME864852	NA	0.82	0.73	1.01	0.97	1.49	0.98	NA	NA
Homocitrulline	ME864932	NA	1.01	0.96	1.08	0.84	1.14	0.97	NA	NA
3-Aminopropionitrile	ME864858	1.35	NA	1.35	0.43	0.92	0.75	NA	NA	1.20
S-Methylmethionine	ME864998	1.97	1.90	1.85	1.14	0.38	0.05	0.38	0.58	0.75
γ-Glu-Gln	ME865041	1.17	1.62	2.41	0.99	0.92	0.19	0.33	0.28	1.10
γ-Glu-Glu	ME865042	3.01	1.19	1.75	0.69	0.67	0.28	0.24	0.27	0.91
γ-Glu-Ornitine;H-Asp(Lys-OH)-OH	ME865063	1.95	0.86	1.67	1.04	0.87	0.45	0.44	0.55	1.16
γ-Glu-Ala	ME865036	2.44	0.84	1.70	0.76	1.05	0.24	0.26	0.43	1.29
γ-Glu-Arg_divalent	ME865037	2.53	0.97	1.35	0.90	0.93	0.32	0.28	0.44	1.27
γ-Glu-Ser	ME865048	2.60	1.11	1.24	0.96	0.81	0.42	0.28	0.49	1.11
γ-Glu-Phe	ME865047	2.35	1.03	1.80	1.46	0.81	0.16	0.12	0.23	1.04
γ-Glu-Val	ME865053	2.72	0.99	1.41	1.26	0.85	0.25	0.15	0.24	1.12
γ-Glu-Lys_divalent	ME865045	2.58	1.05	1.24	1.40	0.86	0.25	0.18	0.32	1.12
γ-Glu-Tyr	ME865052	2.52	0.92	1.24	1.49	0.89	0.19	0.13	0.31	1.32
γ-Glu-Gly	ME865043	2.24	1.07	1.37	1.32	0.93	0.52	0.26	0.30	0.98
γ-Glu-Leu;γ-Glu-Ile	ME865062	2.26	1.03	1.30	1.61	1.04	0.24	0.13	0.28	1.12
Saccharopine	ME864990	1.81	0.96	0.89	0.96	1.20	0.70	0.51	0.82	1.15
1-Methyladenosine	ME864851	1.44	0.71	1.35	1.14	1.29	0.74	NA	0.55	0.78
γ-Glu-Val-Gly	ME865054	1.51	0.73	1.76	0.98	1.09	0.49	NA	0.44	1.00
γ-Glu-Citrulline	ME865040	1.34	0.75	1.00	1.43	1.06	0.39	NA	NA	1.03
γ-Glu-His	ME865044	1.42	1.13	1.21	1.72	0.98	0.37	0.59	0.63	0.96
γ-Glu-Thr	ME865050	1.63	0.91	1.43	1.84	1.22	0.41	0.28	0.41	0.88
γ-Glu-Trp	ME865051	1.40	1.16	1.59	1.73	1.12	0.25	0.18	0.39	1.17
Guanosine	ME864924	1.82	1.09	0.79	0.10	1.46	1.28	0.09	0.66	1.72
Inosine	ME864940	1.21	0.92	0.57	0.17	1.23	1.60	0.35	1.77	1.17
trans-Glutaconic acid	ME865010	0.62	0.67	1.09	1.31	2.30	0.79	0.67	NA	0.55
β-Cyanoalanine	ME865034	0.98	0.57	2.38	1.32	1.37	0.57	0.29	NA	0.51
Glu-Glu	ME864913	1.52	1.07	1.17	0.85	0.68	0.61	1.09	NA	NA
2-Methylserine	ME864854	0.98	1.14	1.54	0.90	0.57	0.76	1.12	NA	NA
Betonicine	ME864887	0.99	1.04	1.38	1.13	0.60	0.86	0.99	NA	NA
N-Acetylserine	ME864965	NA	1.16	0.98	1.00	1.17	0.74	0.74	NA	1.21
threo-3-Hydroxyaspartic acid	ME865007	0.70	1.09	1.36	NA	0.78	0.99	0.74	NA	1.35
Guanidinosuccinic acid	ME864921	NA	0.89	1.14	NA	1.02	0.87	1.24	0.69	1.15
N-Amidinoglutamic acid	ME864966	NA	1.28	1.26	0.57	0.85	1.18	1.02	0.68	1.15
4-Guanidinobutyric acid	ME864866	0.57	0.85	0.92	1.00	1.32	1.65	0.68	0.87	1.15
Guanidoacetic acid	ME864922	0.39	0.90	1.14	0.70	1.14	1.64	0.79	0.80	1.50
Ectoine	ME864902	0.85	1.42	0.77	0.62	1.13	1.82	0.82	0.76	0.82
Uridine	ME865020	0.56	1.52	1.37	0.53	1.38	1.93	0.52	0.59	0.61
N-Methylglutamic acid	ME864974	0.81	1.03	1.67	1.02	0.86	0.81	1.07	NA	0.73
Pipecolic acid	ME864982	0.74	1.24	1.83	0.55	1.26	1.02	0.79	0.81	0.76
γ-Glu-Asn	ME865038	1.27	1.40	1.70	0.90	0.90	0.58	0.82	0.49	0.93
Cytosine	ME864900	0.71	1.38	1.85	0.99	1.01	0.68	1.06	0.78	0.55
Phosphorylcholine	ME864981	0.97	1.31	1.97	0.92	0.75	0.45	1.12	0.69	0.82
γ-Glu-Asp	ME865039	1.10	1.06	1.53	1.24	0.51	0.96	1.17	0.74	0.69
Nicotinamide	ME864968	1.05	1.04	1.48	0.89	1.21	0.53	1.30	0.67	0.82
N-Acetylglucosylamine	ME864961	0.67	1.30	1.27	0.78	0.66	1.08	1.34	1.01	0.89
N-Acetylornithine	ME864963	0.79	1.16	1.19	0.77	1.02	0.86	1.56	0.84	0.80
Ophthalmic acid	ME864977	0.64	1.10	1.37	0.62	1.19	0.87	1.60	0.88	0.73
3-Aminopropane-1,2-diol	ME864857	0.73	0.89	1.50	1.13	0.82	0.91	1.38	0.81	0.83
Hercynine	ME864927	0.58	1.00	1.75	1.16	0.75	0.64	1.50	0.95	0.67
Betaine	ME864885	0.97	1.08	1.51	0.79	0.74	0.72	1.19	1.03	0.96
Spermine	ME865000	0.90	1.17	1.33	0.67	0.66	0.67	1.26	1.33	1.00
N5-Ethylglutamine	ME864955	0.93	0.85	1.40	0.83	1.13	0.91	1.23	0.88	0.85
β-Ala	ME865033	0.97	0.82	1.32	0.83	0.93	0.90	1.37	0.94	0.92
3-Methylhistidine;1-Methylhistidine	ME865057	0.89	0.93	1.50	1.03	0.97	0.72	1.22	0.96	0.76
4-Methylaminobutyric acid;5-Aminovaleric acid	ME865058	0.85	1.14	1.66	0.91	0.99	0.72	1.09	0.86	0.78
cis-4-Hydroxyproline	ME864893	0.90	0.94	1.39	0.97	0.91	0.93	1.10	1.09	0.77
γ-Butyrobetaine	ME865035	0.92	1.03	1.18	1.03	0.92	1.05	1.06	1.06	0.74
Isoglutamic acid	ME864941	0.87	1.00	1.44	0.94	0.74	1.08	1.16	0.97	0.79
Stachydrine	ME865001	0.77	1.10	1.54	0.93	0.77	0.88	1.11	1.10	0.80
4-Oxopyrrolidine-2-carboxylic acid	ME864868	1.24	1.39	1.20	0.58	0.86	0.61	1.35	0.96	0.81
Glu	ME864909	1.29	1.43	1.29	0.52	0.75	0.53	1.39	1.03	0.77
3-(3,4-Dihydroxyphenyl)-2-methylalanine;3-Methoxytyrosine	ME865056	1.32	0.95	1.13	0.96	0.93	0.66	0.90	1.08	1.07
3-Hydroxy-2-methyl-4-pyrone	ME864859	1.26	0.94	1.11	0.68	0.70	0.58	1.01	1.37	1.36
Ala	ME864877	1.19	0.90	1.19	0.62	0.96	0.66	1.09	1.27	1.13
Spermidine	ME864999	0.90	1.08	1.20	0.69	0.94	0.72	1.13	1.22	1.13
ADMA	ME864876	1.03	0.69	0.57	1.07	1.30	1.21	0.67	1.30	1.16
SDMA	ME864994	0.77	0.77	0.62	1.06	1.35	1.28	0.91	1.28	0.97
Choline	ME864892	1.17	1.07	1.29	1.08	0.87	1.17	0.53	0.60	1.22
Thymidine	ME865009	0.83	0.88	1.08	1.36	1.15	1.29	0.67	0.84	0.89
N6,N6,N6-Trimethyllysine	ME864956	0.89	0.87	0.96	1.03	1.29	1.23	0.96	0.99	0.79
Nω-Methylarginine	ME864976	0.86	0.80	0.87	0.96	1.31	1.35	0.95	0.97	0.94
N6-Methyllysine	ME864960	0.77	1.03	0.87	1.11	1.21	1.14	1.00	1.10	0.78
N-Acetylglucosamine;N-Acetylgalactosamine;N-Acetylmannosamine	ME865060	0.82	1.13	0.87	1.21	1.18	1.21	0.87	0.98	0.73
4-Amino-3-hydroxybutyric acid	ME864865	1.12	0.86	0.72	0.98	1.00	1.20	1.11	1.26	0.74
Ornithine	ME864978	0.93	0.82	0.99	0.90	0.89	0.85	1.35	1.42	0.85
Hydroxyproline	ME864934	1.04	1.03	0.94	0.99	1.10	0.95	1.17	0.78	1.01
Arg	ME864881	0.95	0.86	0.96	1.00	1.11	0.82	1.01	1.26	1.03
Carboxymethyllysine	ME864890	0.97	1.10	1.09	1.16	1.00	0.75	1.12	0.99	0.83
Ser	ME864995	0.86	1.09	0.84	1.00	0.90	1.10	1.09	1.22	0.91
5-Hydroxylysine	ME864870	1.00	1.12	1.03	0.98	0.99	1.01	0.99	0.98	0.91
Trigonelline	ME865011	0.92	1.09	1.05	0.88	0.95	0.93	1.12	1.06	1.00
Carnitine	ME864891	0.83	0.94	1.07	1.07	0.89	0.94	1.21	1.19	0.86
Nicotinic acid	ME864970	0.89	0.91	1.02	0.94	0.91	1.05	1.18	1.08	1.02
Argininosuccinic acid	ME864882	0.75	1.18	1.12	0.90	1.13	0.87	0.86	1.01	1.16
allo-Threonine	ME864879	0.89	1.36	1.32	0.91	1.07	0.77	0.86	0.76	1.07
Gulonolactone	ME864925	1.02	1.19	1.25	0.81	1.08	1.01	0.94	0.78	0.91
Gluconolactone	ME864910	1.00	0.75	1.34	1.01	1.14	0.83	1.01	0.78	1.14
γ-Glutamyl-S-Allylcysteine	ME865049	1.05	0.71	1.06	0.84	1.34	1.19	0.91	0.79	1.12
Ethylacetimidate	ME864905	0.74	0.76	0.93	1.56	1.57	0.58	0.82	0.85	1.19
Putrescine	ME864985	0.84	0.74	1.09	1.34	1.25	0.58	1.03	0.98	1.14
Citrulline	ME864894	0.88	1.07	1.02	1.17	1.38	0.86	0.95	0.70	0.96
Homoserine	ME864933	0.91	0.93	1.11	1.38	1.19	0.75	1.02	0.78	0.93
Trp	ME865014	0.98	0.99	0.94	1.57	1.06	0.78	0.62	1.05	1.02
Tyr	ME865016	1.22	0.83	0.80	1.61	0.99	0.88	0.63	0.97	1.08
Pro	ME864984	1.06	1.07	0.78	1.13	1.33	0.71	0.84	1.02	1.05
N6-Acetyllysine	ME864957	1.02	1.16	0.91	1.14	1.03	0.94	0.82	1.11	0.87
Ile	ME864937	1.19	1.12	1.04	1.22	0.88	0.85	0.73	0.90	1.07
Gly-Asp	ME864916	1.15	0.94	0.88	1.28	1.03	0.88	0.82	1.01	1.01
Lys	ME864945	1.13	1.06	0.86	1.32	0.99	0.85	0.69	1.09	1.01
S-Carboxymethylcysteine	ME864993	0.94	1.24	1.17	1.52	0.91	0.82	0.99	0.64	0.76
Ethanolamine	ME864904	0.97	1.14	1.29	1.26	1.03	1.04	0.72	0.70	0.84
His	ME864929	1.25	1.18	1.18	1.27	1.03	0.71	0.51	0.87	1.01
Phe	ME864980	1.12	1.05	1.19	1.44	0.88	0.88	0.65	0.83	0.95
5-Methylcytosine	ME864873	0.90	0.95	1.36	1.39	0.56	0.61	1.40	1.35	0.50
3-Amino-2-piperidone	ME864856	0.56	0.73	1.17	0.97	0.90	1.48	1.49	0.89	0.80
Asp	ME864884	0.49	1.13	1.01	1.37	0.86	1.05	1.49	1.05	0.54
Aminoacetone	ME864880	0.73	0.80	0.73	1.69	1.39	1.18	NA	0.70	0.78
Tyramine	ME865017	0.66	0.85	1.24	1.73	1.32	0.97	0.67	0.90	0.66
2-Aminoisobutyric acid;2-Aminobutyric acid	ME865055	0.70	1.10	0.94	1.76	1.69	0.88	0.75	0.46	0.72
Ala-Ala;XC0145	ME865059	0.94	1.02	0.93	1.71	1.39	0.73	0.93	0.66	0.70
Adenine	ME864874	0.63	0.37	0.90	1.94	1.14	1.16	0.87	0.98	1.00
Mannosamine	ME864946	0.61	0.97	0.74	1.91	1.02	0.98	1.04	0.82	0.91
Gibberellic acid	ME864907	NA	0.98	1.02	1.15	0.99	1.18	NA	0.91	0.77
Trimethylamine	ME865012	0.51	0.65	1.58	1.50	1.46	1.49	0.40	0.86	0.55
Gly-Leu	ME864920	NA	NA	NA	0.94	0.77	0.89	NA	1.20	1.19
Betaine aldehyde_+H2O	ME864886	0.64	0.54	0.17	1.71	1.31	1.96	0.24	0.90	1.52
GABA	ME864906	1.17	0.54	0.18	1.57	1.73	1.19	0.16	1.19	1.27
Dimethylaminoethanol	ME864901	0.91	0.89	NA	0.88	1.29	1.59	0.75	0.74	0.95
N-Methylproline	ME864975	NA	0.99	NA	0.80	1.31	0.90	1.05	1.16	0.79
Cytidine	ME864899	0.80	2.49	2.11	NA	0.03	0.02	0.83	0.91	0.80
Gln	ME864908	1.70	3.15	1.17	0.21	0.41	0.15	0.51	1.31	0.38
3-Hydroxyproline	ME864861	0.94	NA	0.85	NA	NA	NA	0.76	0.89	1.56
Gly	ME864915	1.46	1.75	1.74	0.03	0.03	0.02	1.34	1.24	1.39
Leu	ME864943	1.62	1.42	1.13	0.12	0.09	0.10	1.23	1.69	1.60
Val	ME865022	1.78	1.60	1.46	0.07	0.05	0.05	1.09	1.39	1.51
5-Methylcytidine	ME864872	1.00	1.12	1.42	NA	NA	NA	NA	0.70	0.76
Nicotinamide riboside	ME864969	1.04	1.70	1.20	NA	NA	NA	0.40	0.83	0.84
5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid	ME864869	1.00	1.26	1.31	NA	NA	NA	0.98	0.59	0.85
Pyroglutamine	ME864989	0.81	1.37	1.60	NA	NA	NA	0.84	0.68	0.71
H-Asp(Gly-OH)-OH	ME864926	0.69	1.66	0.88	NA	NA	NA	1.06	0.91	0.80
4-Methylpyrazole	ME864867	0.58	1.07	1.13	NA	NA	NA	0.88	1.03	1.32
1-Deoxynojirimycin	ME864849	0.59	1.16	1.04	NA	NA	NA	1.19	1.06	0.95
Caffeine	ME864889	1.00	0.99	1.00	NA	NA	NA	0.98	0.97	1.06
Theobromine	ME865003	0.91	1.12	1.10	NA	NA	NA	1.13	0.90	0.85
Gly-Gly	ME864919	1.27	0.80	1.29	0.55	NA	NA	0.80	1.11	1.19
2^-Deoxycytidine	ME864853	1.33	1.09	0.55	NA	NA	NA	0.98	1.13	0.92
Succinyladenosine	ME865002	1.35	0.89	1.04	NA	NA	NA	0.71	0.97	1.05
Asn	ME864883	0.87	2.23	0.89	0.40	0.59	0.44	1.39	1.47	0.72
Creatinine	ME864895	1.04	1.98	1.08	0.52	0.68	0.61	0.70	0.94	1.45
Hypotaurine	ME864935	1.02	1.60	1.85	0.36	0.59	0.63	0.83	0.74	1.38

Factors:

F1	Sample source:latex \| collected month:Aug-22
F2	Sample source:latex \| collected month:Dec-22
F3	Sample source:latex \| collected month:Jan-23
F4	Sample source:latex \| collected month:Jul-22
F5	Sample source:latex \| collected month:Jun-22
F6	Sample source:latex \| collected month:May-22
F7	Sample source:latex \| collected month:Nov-22
F8	Sample source:latex \| collected month:Oct-22
F9	Sample source:latex \| collected month:Sep-22

Data matrix