Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of intensive weight management clinic (IWMC) weight loss (Study ST000744)

Reversed phase NEGATIVE ION MODE (Analysis AN001164)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
URIC ACID (M-H)-	ME206538	0.85	1.00	1.04	1.02	1.11	1.30	1.08	1.19	0.49	0.67
BILIVERDIN (M-H)-	ME206480	0.76	0.49	0.71	1.01	1.36	1.51	1.20	1.31	0.81	0.69
MALIC ACID (M-H)-	ME206509	1.25	0.66	0.96	0.81	1.15	1.12	0.98	1.09	0.97	1.12
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-	ME206527	0.96	1.26	0.89	0.80	0.72	1.50	0.87	1.02	0.79	1.41
THEOPHYLLINE (M-H)-	ME206532	0.42	0.76	1.50	2.48	0.52	0.60	0.45	1.41	0.72	0.19
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME206505	1.21	0.87	1.01	0.99	1.09	1.15	1.06	0.95	1.08	0.47
HIPPURIC ACID (M-H)-	ME206500	1.09	0.43	1.78	2.07	0.47	0.42	0.42	0.85	0.69	0.50
4-PYRIDOXIC ACID (M-H)-	ME206475	0.63	0.50	0.91	0.70	0.64	1.09	1.33	2.35	1.13	1.23
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME206506	1.12	0.93	1.08	0.91	1.08	1.11	0.93	1.00	1.15	0.59
16:0-18:0 PC (M+CL)-	ME206463	1.40	0.67	0.97	0.90	0.98	1.11	1.00	0.93	NA	1.23
TRANS-ACONITIC ACID (M-H)-	ME206534	0.86	0.85	0.94	1.12	1.16	0.83	0.93	1.18	0.92	1.06
CIS-11-EICOSENOIC ACID (M-H)-	ME206482	1.03	1.89	0.95	0.76	0.91	1.05	0.99	0.61	1.42	0.69
16:0 LYSO PC (M+CL)-	ME206462	2.13	0.69	0.85	1.17	0.84	0.81	0.91	0.88	0.88	0.99
DEOXYURIDINE (M+CL)-	ME206491	0.81	0.76	0.83	0.91	1.10	1.53	1.21	0.64	0.93	1.46
GALACTARIC ACID (M-H)-	ME206496	0.58	0.16	0.43	1.25	0.35	0.67	1.02	1.74	0.56	3.83
MYRISTOLEIC ACID (M-H)-	ME206512	0.49	0.98	1.16	1.05	1.94	0.59	0.76	1.16	0.72	0.34
TRYPTOPHAN (M-H)-	ME206536	1.13	0.73	0.98	1.06	1.07	1.37	0.91	0.89	1.09	0.48
OLEIC ACID (M-H)-	ME206518	1.01	1.21	1.03	0.82	0.97	1.03	1.08	0.91	1.35	0.75
CORTISONE (M+CL)-	ME206486	0.80	0.93	1.06	1.01	1.17	1.22	1.01	0.93	0.93	0.66
2-METHYLMALEIC ACID (M-H)-	ME206468	0.80	1.08	1.80	0.88	0.72	0.65	0.49	1.03	0.81	1.60
MEVALONIC ACID (M-H)-	ME206510	1.16	1.14	0.86	1.42	1.15	0.98	0.65	1.08	1.03	0.42
URIDINE (M+CL)-	ME206539	0.84	0.97	1.04	1.17	1.05	1.22	0.84	1.24	0.66	0.64
24:0 SM (D18:1/24:0) (M+CL)-	ME206469	0.61	1.53	0.83	1.12	0.94	0.89	1.55	1.23	0.78	0.65
RIBOFLAVIN (M+CL)-	ME206526	0.95	NA	0.39	NA	0.36	0.59	0.59	4.21	NA	0.53
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME206470	0.55	0.82	1.12	0.86	1.07	1.23	0.81	1.05	1.66	0.67
HEPTADECANOIC ACID (M-H)-	ME206499	1.07	1.64	1.13	0.62	0.94	0.85	1.39	0.87	0.95	0.88
XANTHOSINE (M-H)-	ME206541	NA	0.05	0.06	0.08	0.05	0.06	0.05	0.06	7.10	NA
DEOXYADENOSINE (M+CL)-	ME206488	1.12	0.90	0.84	0.78	1.42	1.31	1.12	1.02	0.87	0.62
18:0 LYSO-PE (M-H)-	ME206464	1.19	1.20	1.17	0.85	0.77	0.82	1.03	0.99	1.18	0.99
NERVONIC ACID (M-H)-	ME206517	1.00	1.06	0.84	0.72	1.32	1.15	1.51	0.72	1.15	0.73
SUCCINIC ACID (M-H)-	ME206531	0.84	0.73	1.28	1.20	0.85	0.99	0.99	1.51	0.47	0.75
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	ME206487	1.47	0.59	0.63	1.02	0.75	1.47	0.86	1.99	0.85	0.62
GLYCOCHOLIC ACID (M-H)-	ME206498	0.42	0.93	1.51	0.53	0.60	0.91	2.08	2.06	0.71	0.40
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME206466	0.83	0.88	1.16	0.89	1.32	1.51	0.65	0.81	0.96	0.51
CITRIC ACID (M-H)-	ME206484	1.18	1.89	0.88	1.04	1.00	0.69	0.77	0.68	1.16	0.92
ISOCITRIC ACID (M-H)-	ME206504	0.28	0.25	1.16	1.27	1.15	0.80	1.31	1.41	1.10	0.86
NAPROXEN (M-H)-	ME206516	0.06	3.83	NA	NA	0.26	NA	0.74	NA	0.11	NA
2-DEOXY-D-GLUCOSE (M+CL)-	ME206465	3.30	NA	0.93	NA	0.14	0.37	NA	NA	0.47	0.02
CORTISOL (M+CL)-	ME206485	0.77	0.94	1.63	0.90	0.91	1.10	0.90	0.63	1.24	0.46
SALICYLATE #2 (M-H)-	ME206528	0.05	0.22	0.44	0.14	0.68	0.16	1.91	0.08	7.14	1.01
DOCOSAHEXAENOIC ACID (M-H)-	ME206493	0.54	0.72	0.85	0.99	1.12	0.95	1.85	1.95	0.74	0.42
MYRISTIC ACID (M-H)-	ME206511	0.75	1.61	1.32	0.87	0.84	0.83	1.25	1.30	0.74	0.47
1-METHYLADENOSINE (M+CL)-	ME206458	0.93	0.97	1.09	0.98	0.83	1.21	0.78	1.00	1.12	1.03
AZELAIC ACID (M-H)-	ME206479	0.84	1.24	1.05	1.03	0.81	1.35	1.01	0.84	0.99	0.68
THYROXINE (M-H)-	ME206533	1.20	1.01	1.22	0.76	0.90	0.95	0.74	0.72	1.47	1.23
ERUCIC ACID (M-H)-	ME206495	0.88	0.70	0.67	1.02	2.10	1.07	0.99	0.58	0.97	0.75
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME206494	0.98	1.05	1.02	1.02	1.06	1.05	1.11	1.03	0.99	0.60
XANTHINE (M-H)-	ME206540	0.61	1.08	0.97	1.15	1.02	1.12	1.12	1.65	0.34	0.42
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME206474	0.89	0.73	0.89	0.94	1.22	1.35	1.03	1.01	1.17	0.67
ADIPIC ACID (M-H)-	ME206477	0.74	1.00	1.06	0.86	0.69	1.18	1.35	1.09	1.33	0.84
CHOLIC ACID (M-H)-	ME206481	NA	NA	3.66	0.40	NA	0.34	0.24	0.44	0.08	NA
ARACHIDONIC ACID (M-H)-	ME206478	0.92	0.95	0.97	1.02	1.08	0.99	1.01	1.10	1.16	0.78
OXALOACETIC ACID (M-H)-[-H2O]	ME206519	0.81	0.90	0.88	0.90	0.94	1.28	1.25	1.09	0.98	0.95
1-METHYLURIC ACID (M-H)-	ME206460	0.25	0.66	1.14	2.21	0.24	1.14	0.67	1.00	1.40	0.16
TYROSINE (M-H)-	ME206537	0.86	1.05	1.09	1.03	1.09	1.21	0.81	1.03	0.79	0.78
1-METHYLURIC ACID (2M-H)-	ME206459	NA	0.37	1.21	1.89	NA	0.36	NA	0.38	1.06	NA
2-HYDROXYBUTYRIC ACID (M-H)-	ME206467	1.06	0.81	0.68	0.74	1.75	1.24	1.03	1.13	1.00	0.65
PANTOTHENIC ACID (M-H)-	ME206522	0.98	0.80	1.13	0.76	0.92	1.01	0.62	1.52	1.23	1.15
STEARIC ACID (M-H)-	ME206530	1.32	1.89	0.91	0.65	0.96	0.96	1.29	0.70	1.14	0.66
N-ACETYL-L-ALANINE (M-H)-	ME206514	0.89	1.07	0.96	0.89	1.06	1.09	1.26	0.96	1.05	0.86
PALMITOLEIC ACID (M-H)-	ME206521	0.77	1.15	1.35	1.01	0.77	0.76	1.39	1.42	0.84	0.43
N-ACETYL-D-GLUCOSAMINE (M+CL)-	ME206513	1.16	0.99	1.17	1.10	0.75	0.99	1.30	0.95	0.74	0.71
DEOXYCHOLIC ACID (M-H)-	ME206490	1.54	1.48	1.29	0.95	1.28	0.60	0.51	1.08	0.72	0.52
ZEATIN [ISTD] (M+CL)-	ME206542	1.03	1.03	1.04	1.02	1.04	0.97	1.04	1.02	1.07	0.66
3-METHYLXANTHINE (M-H)-	ME206473	1.92	0.34	1.59	2.52	0.14	0.76	0.63	0.93	0.21	0.05
RIBITOL (M+CL)-	ME206525	0.73	0.69	1.18	1.26	0.92	1.00	0.92	1.56	0.69	0.65
N-ETHYLMALEIMIDE (M-H)-	ME206515	NA	NA	1.00	1.62	0.59	0.43	NA	0.91	0.75	NA
PALMITIC ACID (M-H)-	ME206520	1.16	1.31	1.08	0.72	0.97	1.03	1.09	0.85	1.30	0.70
LINOLEIC ACID (M-H)-	ME206508	0.89	1.07	1.07	1.04	0.82	1.00	1.07	1.10	1.23	0.70
SALICYLURIC ACID (M-H)-	ME206529	NA	0.29	0.33	0.14	0.53	NA	1.10	NA	6.22	0.74
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME206471	0.80	1.05	1.20	0.94	0.69	1.10	1.06	0.95	1.34	0.79
LAURIC ACID (M-H)-	ME206507	0.78	1.94	1.24	1.02	0.69	1.12	0.61	0.80	0.86	0.65
HYODEOXYCHOLIC ACID (M-H)-	ME206501	0.88	1.36	1.08	0.87	0.84	0.86	1.43	1.03	1.07	0.78
CITRAMALIC ACID (M-H)-	ME206483	0.65	1.22	1.39	1.05	0.96	0.95	0.31	0.90	1.73	0.64
1-METHYLXANTHINE (M-H)-	ME206461	1.24	0.50	1.93	2.49	0.05	0.31	0.86	0.82	0.07	0.08
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-	ME206492	1.87	1.34	0.83	0.63	0.98	1.03	0.93	0.73	1.08	1.13
GLUCOSE (M+CL)-	ME206497	1.12	0.67	0.99	0.90	0.93	0.93	1.12	0.86	0.80	1.86
PHYTANIC ACID (M-H)-	ME206524	0.99	2.15	1.01	0.95	0.63	1.03	1.16	0.71	0.98	0.60
PHENYLALANINE (M-H)-	ME206523	0.77	0.89	1.07	1.01	1.18	1.30	0.81	1.13	0.89	0.63
DEOXYCHOLIC ACID (M+CL)-	ME206489	1.38	1.36	1.35	1.01	1.15	0.70	0.53	0.93	1.13	0.42
ZEATIN [ISTD] (M-H)-	ME206543	1.03	1.07	1.03	1.03	1.03	1.01	1.15	1.01	0.97	0.60
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME206472	1.01	0.85	0.91	0.90	1.10	1.37	0.99	0.94	1.19	0.69
TRYPTOPHAN (2M-H)-	ME206535	1.12	0.63	0.97	1.08	1.09	1.53	0.84	0.85	1.09	0.42

Factors:

F1	Gender:female \| Glycemic status:Diabetic \| Neuropathy:Neuropathy
F2	Gender:female \| Glycemic status:Diabetic \| Neuropathy:no neuropathy
F3	Gender:female \| Glycemic status:Pre-diabetic \| Neuropathy:Neuropathy
F4	Gender:female \| Glycemic status:Pre-diabetic \| 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:Normoglycemic \| Neuropathy:Neuropathy
F8	Gender:male \| Glycemic status:Normoglycemic \| Neuropathy:no neuropathy
F9	Gender:male \| Glycemic status:Pre-diabetic \| Neuropathy:Neuropathy
F10	Gender:male \| Glycemic status:Pre-diabetic \| Neuropathy:no neuropathy

Data matrix