Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000743)

(Analysis AN001159)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
HIPPURIC ACID (M+NA)+	ME205746	0.60	0.46	0.14	NA	1.06	5.25	0.89	0.35
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]	ME205686	0.72	0.38	0.17	0.13	1.24	6.68	0.99	0.38
HIPPURIC ACID (M+H)+	ME205745	0.65	0.34	0.16	NA	1.14	6.42	0.93	0.36
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]	ME205684	0.70	0.29	5.36	0.66	0.59	0.28	NA	0.44
HOMOVANILLIC ACID (M+H)+	ME205748	0.11	NA	4.87	0.35	NA	0.46	NA	NA
IBUPROFEN (M+NA)+	ME205750	0.72	0.15	0.26	0.02	4.32	2.54	0.42	NA
CARNITINE (M+H)+	ME205710	0.23	0.20	0.06	3.85	NA	NA	2.08	0.37
LINOLEOYLCARNITINE (*) (M+H)+	ME205766	0.25	4.10	0.56	0.00	0.52	0.58	NA	0.16
SPHINGANINE (M+H)+	ME205803	0.13	4.90	0.16	0.04	0.24	0.17	NA	0.09
DEOXYURIDINE (M+NA)+	ME205723	NA	1.95	0.47	0.53	NA	0.75	0.46	0.89
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	ME205703	0.29	2.84	1.02	0.41	0.30	0.17	NA	0.42
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+	ME205704	0.08	3.04	0.19	0.10	0.10	0.06	NA	0.07
INDOLE-3-ACETALDEHYDE (M+H)+	ME205751	0.46	1.07	0.09	1.89	1.03	0.10	0.91	3.30
SALICYLURIC ACID (M+H)+	ME205798	1.41	0.10	NA	NA	0.88	NA	1.61	NA
SALICYLURIC ACID (M+NA)+	ME205799	1.93	0.20	NA	0.21	0.96	NA	2.38	0.32
ACETAMINOPHEN (TN TYLENOL) (M+NA)+	ME205694	2.95	0.03	NA	0.02	NA	NA	0.02	0.02
ACETYLCARNITINE (M+H)+	ME205695	1.94	1.02	0.26	0.16	0.91	0.23	0.34	0.27
ADIPIC ACID (M+H)+	ME205697	2.25	0.52	0.24	0.39	1.57	NA	0.27	0.22
OLEOYLCARNITINE (*) (M+H)+	ME205783	0.92	0.70	NA	0.17	NA	1.40	NA	2.04
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+	ME205800	1.14	0.52	0.89	2.54	1.79	0.75	0.99	0.53
THEOBROMINE (M+H)+	ME205812	1.31	0.67	0.45	2.64	1.83	0.79	0.05	0.31
PIMELIC ACID (M+NA)+	ME205793	0.50	0.56	1.38	0.93	NA	3.18	NA	0.40
EICOSANOYLCARNITINE (*) (M+H)+	ME205730	1.05	0.24	NA	0.22	NA	2.34	NA	NA
EICOSADIENOYLCARNITINE (*) (M+H)+	ME205729	1.09	0.46	NA	0.16	NA	2.02	NA	NA
PALMITOYLCARNITINE (M+H)+	ME205790	1.01	0.58	NA	0.27	NA	2.10	NA	NA
DESMOSTEROL (M+H)+[-H2O]	ME205726	1.00	0.66	0.18	1.30	1.17	3.06	0.33	0.65
SULFADIMETHOXINE (M+H)+	ME205807	1.63	0.59	0.44	1.54	0.18	2.35	0.20	0.42
SULFADIMETHOXINE (M+NA)+	ME205808	1.59	0.61	0.54	1.57	0.25	2.08	0.24	0.51
CAFFEINE (M+H)+	ME205707	1.46	0.64	0.36	1.32	0.89	2.76	0.04	0.21
CAFFEINE (M+NA)+	ME205708	1.38	0.58	0.46	1.25	0.93	2.29	NA	0.22
CYSTEIC ACID (M+H)+	ME205719	0.80	1.12	0.85	1.01	1.14	1.24	NA	NA
THEOPHYLLINE (M+NA)+	ME205814	1.28	0.88	0.82	1.55	1.23	1.24	0.15	0.38
GLYCOCHOLIC ACID (M+H)+[-H2O]	ME205742	1.24	0.69	NA	1.26	0.96	1.33	0.42	NA
METHYL JASMONATE (M+NA)+	ME205770	2.07	0.85	0.23	1.17	1.02	1.62	0.21	0.23
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+	ME205706	1.00	0.37	NA	0.78	1.64	0.35	NA	1.88
INDOLE-3-ACETIC ACID (M+NA)+	ME205753	0.80	1.02	0.53	1.04	2.33	0.73	1.17	0.92
CARNOSINE (M+NA)+	ME205711	1.22	1.29	0.56	0.80	1.51	0.12	0.85	0.62
GALACTURONIC ACID (M+NA)+[-H2O]	ME205735	0.76	0.77	NA	0.62	2.35	NA	1.35	0.64
INDOLE-3-ACETIC ACID (M+H)+	ME205752	1.07	0.85	NA	0.85	2.00	NA	0.95	0.75
N-ACETYL-L-PHENYLALANINE (M+NA)+	ME205773	0.94	0.88	NA	0.69	1.75	NA	1.02	1.08
ASPARAGINE (M+H)+	ME205701	0.39	2.12	1.47	0.66	0.90	0.47	1.44	0.14
MYRISTOYLCARNITINE (*) (M+H)+	ME205771	0.75	1.52	1.05	0.24	0.79	0.41	1.86	0.58
TAUROLITHOCHOLIC ACID (M+H)+	ME205809	0.79	1.43	0.55	0.16	0.45	NA	2.17	0.79
CHOLESTEROL (M+H)+[-H2O]	ME205712	0.85	0.73	2.18	1.82	0.51	2.08	0.40	0.68
GLYCOCHENODEOXYCHOLIC ACID (M+H)+	ME205739	1.04	0.95	2.32	1.60	0.11	0.59	0.88	0.61
ALPHA-LINOLENIC ACID (M+NA)+	ME205699	1.26	0.82	1.77	1.28	0.97	0.36	0.59	0.71
3-METHOXYTYROSINE (M+H)+	ME205688	0.89	1.09	1.67	1.25	0.43	0.96	1.05	0.69
TYROSINE (M+NA)+	ME205818	0.98	0.97	1.73	1.17	0.67	1.03	0.70	0.83
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]	ME205740	0.81	1.01	1.73	2.31	0.28	1.19	0.66	0.53
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+	ME205741	0.88	0.90	1.69	2.70	0.26	1.14	0.58	0.51
ADENOSINE 5^-MONOPHOSPHATE (M+H)+	ME205696	0.98	1.05	1.15	2.13	0.53	0.77	0.36	0.99
SPERMIDINE (M+H)+	ME205801	0.61	1.10	1.19	2.22	0.74	1.16	0.64	1.19
SPERMINE (M+H)+	ME205802	0.69	0.86	1.47	1.70	0.85	1.48	0.71	1.60
NICOTINAMIDE (M+H)+	ME205777	0.79	0.94	1.49	1.60	0.89	1.01	0.73	1.30
OLEIC ACID (M+NA)+	ME205781	0.86	0.93	1.28	1.82	0.97	0.77	0.74	1.17
L-HISTIDINE (M+H)+	ME205762	1.00	1.02	0.38	0.87	NA	NA	1.42	1.28
DODECENOYLCARNITINE (*) II M+	ME205727	1.57	1.04	0.92	0.48	0.42	0.48	0.59	0.67
GUANINE (M+H)+	ME205743	1.62	0.67	0.87	0.76	0.60	0.69	0.56	1.03
PANTOTHENIC ACID (M+H)+	ME205791	1.33	1.27	0.48	0.46	0.33	0.29	0.92	1.09
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+	ME205687	1.57	1.00	0.65	0.20	0.77	NA	0.64	0.48
RIBOFLAVIN (M+H)+	ME205797	1.50	0.99	0.62	0.64	0.43	NA	0.88	0.46
CALCIDIOL (M+H)+[-H2O]	ME205709	1.30	1.33	NA	0.42	0.26	1.20	0.56	0.36
GLUCOSE (M+NA)+	ME205737	1.01	1.73	0.49	0.78	NA	0.41	0.43	0.65
PANTOTHENIC ACID (M+NA)+	ME205792	1.32	1.41	0.38	0.78	0.40	0.44	0.61	0.44
KYNURENIC ACID (M+H)+	ME205759	0.76	0.92	1.29	0.47	1.38	1.13	2.02	0.98
OCTENOYLCARNITINE (*) M+	ME205779	0.99	1.00	0.96	0.39	0.55	1.63	1.97	0.56
GLYCEROL MYRISTATE (M+NA)+	ME205738	0.82	0.85	1.17	1.42	1.32	NA	1.17	0.74
HOMOGENTISIC ACID (M+H)+	ME205747	0.78	1.62	1.18	1.13	1.38	0.42	0.36	0.54
URIDINE (M+H)+	ME205820	0.62	1.53	0.09	1.73	1.11	0.87	0.69	0.90
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+	ME205675	1.31	0.85	0.38	1.23	0.26	1.34	1.08	1.38
THEOPHYLLINE (M+H)+	ME205813	1.12	1.01	0.53	1.16	1.00	1.26	0.07	1.44
16:0 LYSO PC (M+NA)+	ME205679	1.33	0.82	0.50	1.42	0.81	1.15	0.78	0.76
N-CYCLOHEXYLFORMAMIDE (M+H)+	ME205776	1.15	0.87	0.58	1.30	1.12	1.30	0.71	0.89
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+	ME205682	0.97	0.97	1.24	0.62	0.59	2.19	0.89	0.65
CITRIC ACID (M+NA)+	ME205714	1.19	0.84	1.12	0.90	0.71	1.62	0.74	0.76
ISOVALERYLCARNITINE (*) (M+H)+	ME205758	1.33	0.81	0.49	0.41	0.98	0.55	1.63	1.41
PROPIONYLCARNITINE (*) (M+H)+	ME205795	0.82	1.11	0.63	0.72	1.45	0.60	1.64	1.23
BILIVERDIN (M+H)+	ME205702	0.89	1.19	1.43	0.38	0.80	NA	0.98	0.87
TETRADECADIENOYLCARNITINE (*) M+	ME205810	0.99	1.00	2.00	0.22	0.56	0.72	1.21	1.32
LAUROYLCARNITINE (M+H)+	ME205764	1.13	1.00	1.64	0.39	0.83	0.60	1.03	0.97
TETRADECENOYLCARNITINE (*) M+	ME205811	1.17	1.00	1.75	0.30	0.86	0.48	0.88	1.02
LEUKOTRIENE B4 (M+H)+	ME205765	1.35	0.87	1.22	0.57	1.21	0.54	0.91	0.54
PALMITOLEYLCARNITINE (*) M+	ME205789	1.14	1.09	0.95	0.53	1.28	0.70	0.97	0.62
PIPECOLIC ACID (M+H)+	ME205794	1.12	0.88	1.50	1.01	1.03	0.56	1.07	0.82
ELAIDIC ACID (M+H)+	ME205732	1.11	1.02	1.51	0.69	0.99	0.69	0.90	0.73
HEXANOYLCARNITINE (*) M+	ME205744	1.14	1.00	1.37	0.60	1.12	0.68	1.04	0.67
DECENOYLCARNITINE (*) (M+H)+	ME205722	1.24	0.84	1.39	0.31	0.87	1.06	1.47	0.59
DECANOYLCARNITINE (*) (M+H)+	ME205721	1.16	0.86	2.01	0.27	1.15	0.66	1.33	0.52
OCTANOYLCARNITINE (*) (M+H)+	ME205778	1.17	0.87	1.96	0.29	1.18	0.65	1.26	0.51
HYPOXANTHINE (M+H)+	ME205749	0.66	1.55	1.08	1.09	0.48	0.69	1.44	0.39
OLEOYL-GLYCEROL (M+NA)+	ME205782	0.74	1.56	1.20	0.70	0.62	0.64	1.09	0.58
18:0 LYSO-PE (M+H)+	ME205681	0.97	1.37	0.75	0.85	0.75	0.93	0.86	0.50
CHOLINE PHOSPHATE (M+H)+	ME205713	0.76	1.63	0.70	0.64	0.66	0.69	0.78	0.71
ADIPIC ACID (M+NA)+	ME205698	1.15	1.34	0.85	1.13	0.55	1.05	0.37	0.45
SUBERIC ACID (M+NA)+	ME205806	0.70	1.51	0.88	1.11	0.70	1.22	0.63	0.59
N-ACETYLNEURAMINIC ACID (M+H)+	ME205775	0.97	0.86	1.56	0.84	0.35	1.26	1.04	1.55
RAFFINOSE (M+NA)+	ME205796	1.37	0.54	1.31	1.18	0.67	1.19	0.73	1.18
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+	ME205685	0.84	0.85	1.19	0.85	1.50	1.55	0.95	1.22
CYSTATHIONINE (M+H)+	ME205718	0.87	1.08	0.76	0.90	1.18	1.66	0.86	0.84
ISO-BUTYRYLCARNITINE (*) (M+H)+	ME205756	0.68	1.61	0.61	0.63	1.01	0.54	0.92	1.11
BUTYRYLCARNITINE (*) (M+H)+	ME205705	0.94	1.03	0.52	1.16	0.92	0.83	0.98	1.76
URIDINE (M+NA)+	ME205821	0.63	1.34	1.49	0.82	0.78	1.01	0.69	1.37
VALINE (M+NA)+	ME205823	0.53	1.58	1.13	0.72	0.88	0.85	0.89	1.06
ISOLEUCINE (M+H)+	ME205757	0.94	0.92	0.85	0.78	0.82	1.00	1.58	1.55
TYROSINE (M+H)+	ME205817	0.79	0.88	1.00	0.99	1.11	1.28	1.42	1.52
16:0 LYSO PC (M+H)+	ME205678	0.83	1.20	0.99	0.64	0.87	0.81	1.63	0.96
ALPHA-TOCOPHEROL (M+H)+	ME205700	1.00	1.11	1.26	1.00	1.02	0.65	0.67	0.94
OLEIC ACID (M+H)+	ME205780	1.05	1.06	1.10	1.06	0.62	0.82	0.93	1.01
KYNURENINE (M+H)+	ME205760	0.91	0.99	1.03	0.88	1.30	0.85	1.06	1.29
KYNURENINE (M+NA)+	ME205761	0.86	0.97	0.97	1.03	1.40	0.94	1.01	1.33
TRYPTOPHAN (M+NA)+	ME205816	0.96	0.98	0.95	1.24	1.09	0.82	1.06	1.09
DEPHOSPHO-COA (M+H)+	ME205724	0.85	1.17	0.97	1.04	0.86	0.67	1.19	1.20
TRYPTOPHAN (M+H)+	ME205815	0.91	1.01	0.95	1.01	1.07	0.81	1.25	1.23
VALINE (M+H)+	ME205822	0.87	0.97	1.01	0.97	1.22	1.23	1.09	1.11
URIC ACID (M+H)+	ME205819	0.90	1.12	1.12	0.84	1.05	0.85	1.14	0.95
N-ACETYL-DL-SERINE (M+H)+[-H2O]	ME205772	0.88	1.17	0.87	0.85	1.00	0.99	1.07	1.03
1-METHYLXANTHINE (M+H)+	ME205677	0.89	1.03	1.05	0.87	1.05	1.08	1.13	1.15
3-METHYLXANTHINE (M+H)+	ME205689	0.90	1.03	1.05	0.90	1.04	1.05	1.11	1.15
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	ME205763	1.03	0.98	1.01	1.00	0.97	1.07	0.93	0.99
EPIBRASSINOLIDE [ISTD] (M+H)+	ME205733	1.01	0.99	1.00	0.93	0.98	1.00	1.04	1.04
EPIBRASSINOLIDE [ISTD] (M+NA)+	ME205734	1.01	0.97	1.05	1.00	0.99	0.96	1.02	1.05
ZEATIN [ISTD] (M+H)+	ME205825	1.00	0.99	1.00	1.01	1.02	1.00	1.02	1.01
1-METHYLADENOSINE (M+H)+	ME205676	0.76	1.06	1.31	0.79	1.08	1.08	1.16	1.09
5^-METHYLTHIOADENOSINE (M+H)+	ME205692	0.84	1.10	1.08	0.69	1.08	0.98	1.07	1.32
METHIONINE (M+H)+	ME205769	0.90	1.00	1.18	0.95	0.90	0.97	1.03	1.35
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+	ME205720	1.07	1.26	0.84	0.78	0.96	0.71	0.92	1.07
ORNITHINE (M+H)+	ME205785	0.93	1.18	0.82	0.75	0.68	0.76	1.29	1.25
LYSINE (M+H)+	ME205767	0.89	1.25	0.91	0.82	0.66	0.98	1.07	1.03
LYSINE (M+NA)+	ME205768	0.76	1.28	0.95	0.77	0.66	1.04	1.27	1.17
DODECENOYLCARNITINE (*) M+	ME205728	0.94	0.78	3.26	0.25	0.60	0.93	0.89	1.18
16:0-18:0 PC (M+H)+	ME205680	0.50	2.25	2.00	0.31	0.67	0.51	NA	1.01
4-HYDROXYPHENYLACETIC ACID (M+H)+	ME205691	1.16	0.83	1.83	NA	0.37	0.83	NA	NA
N-ACETYLGLYCINE (M+NA)+	ME205774	0.81	1.17	2.33	NA	0.36	NA	NA	0.20

Factors:

F1	Gender:female \| Glycemic status:diabetic \| Neuropathy:Neuropathy
F2	Gender:female \| Glycemic status:diabetic \| Neuropathy:no neuropathy
F3	Gender:female \| Glycemic status:normoglycemic \| Neuropathy:Neuropathy
F4	Gender:female \| Glycemic status:normoglycemic \| Neuropathy:no neuropathy
F5	Gender:male \| Glycemic status:diabetic \| Neuropathy:Neuropathy
F6	Gender:male \| Glycemic status:diabetic \| Neuropathy:no neuropathy
F7	Gender:male \| Glycemic status:pre-diabetic \| Neuropathy:Neuropathy
F8	Gender:male \| Glycemic status:pre-diabetic \| Neuropathy:no neuropathy

Data matrix