Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000724)

(Analysis AN001134)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME203562	1.05	0.99	1.04	1.04	0.96	0.99
PINITOL (M+CL)-	ME203615	0.56	0.56	4.63	1.10	0.30	1.63
17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O]	ME203429	0.83	1.18	0.74	NA	NA	1.24
20:0 LYSO PC (M+CL)-	ME203440	0.44	1.21	NA	NA	0.99	1.07
LIGNOCERIC ACID (M-H)-	ME203566	0.77	1.04	0.49	0.88	0.83	1.47
18:0 LYSO-PE (M-H)-	ME203430	1.02	1.15	0.49	1.00	0.91	0.96
ETHYLMALONIC ACID (M-H)-	ME203515	1.59	0.59	0.63	2.04	1.12	0.98
HOMOCYSTINE (M-H)-	ME203540	NA	1.07	NA	NA	0.80	1.26
GLUTATHIONE (OXIDIZED) (M-H)-	ME203528	0.66	1.24	NA	0.28	1.06	1.02
MALIC ACID (M-H)-	ME203572	1.20	0.90	NA	1.09	1.43	0.66
L-HISTIDINE (M-H)-	ME203559	1.14	0.94	0.69	1.32	0.95	0.99
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME203445	1.37	1.13	0.45	NA	0.71	0.89
INOSINE 5^-DIPHOSPHATE (M-H)-	ME203549	0.13	1.57	0.20	0.38	1.63	0.54
AZELAIC ACID (M-H)-	ME203478	0.92	0.82	NA	NA	NA	1.22
METHYLMALONIC ACID (M-H)-	ME203577	0.96	1.01	0.33	0.92	1.19	0.94
3-HYDROXYPYRUVIC ACID (M-H)-	ME203449	1.78	0.35	NA	NA	1.00	0.86
4-PYRIDOXIC ACID (M-H)-	ME203461	0.51	0.41	0.48	NA	2.54	1.56
ARACHIDIC ACID (M-H)-	ME203475	0.75	1.03	1.21	0.76	0.95	1.27
GLYCEROL 2-PHOSPHATE (M-H)-	ME203530	0.44	1.47	0.66	1.87	1.39	0.66
2^-DEOXYINOSINE (M-H)-	ME203433	0.91	0.99	NA	NA	0.94	1.17
4-NITROPHENYL PHOSPHATE (M-H)-	ME203460	NA	1.57	NA	0.50	NA	0.39
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	ME203442	0.53	1.40	NA	NA	0.76	0.94
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME203561	0.97	1.01	1.13	0.86	1.01	1.00
3-HYDROXYKYNURENINE (M-H)-	ME203447	0.45	1.98	NA	NA	NA	0.57
LYSINE (M-H)-	ME203568	1.01	1.00	NA	0.84	1.23	0.82
5^-METHYLTHIOADENOSINE (M+CL)-	ME203462	1.35	0.95	NA	0.88	0.74	0.83
16:0-18:0 PC (M+CL)-	ME203427	1.05	0.94	1.00	1.23	0.94	1.03
ALPHA-KETO-GLUTARIC ACID (M-H)-	ME203474	0.91	1.17	0.68	1.70	0.88	0.91
N-ACETYL-L-PHENYLALANINE (M-H)-	ME203584	0.66	1.34	0.23	1.36	0.98	0.99
O-PHOSPHO-SERINE (2M-H)+	ME203594	NA	0.95	NA	NA	1.16	0.98
24:0 SM (D18:1/24:0) (M+CL)-	ME203441	1.31	0.84	0.65	0.92	0.96	0.99
HYODEOXYCHOLIC ACID (M-H)-	ME203544	0.93	0.78	0.19	4.34	1.26	0.70
MALIC ACID (M-H)+[-H2O]	ME203571	0.72	1.15	NA	0.11	1.24	0.91
GLUCURONIC ACID (M-H)-	ME203524	1.61	0.62	NA	0.42	1.21	0.49
ISOLEUCINE (M-H)-	ME203552	1.13	1.00	0.73	NA	0.87	1.10
DOCOSAHEXAENOIC ACID (M-H)-	ME203511	0.69	1.24	1.56	0.76	0.87	1.11
3-METHOXYTYROSINE (M-H)-	ME203450	1.21	1.76	NA	NA	0.73	0.55
DUMP (M-H)-	ME203512	0.81	0.46	1.08	0.37	1.62	0.91
N-NITROSODIETHANOLAMINE (M+CL)-	ME203589	NA	0.52	NA	3.00	NA	0.96
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME203443	0.87	1.07	0.69	0.54	0.89	1.30
PHENYLALANINE (M-H)-	ME203609	1.01	1.31	0.56	0.85	0.81	0.89
16:0 LYSO PC (M+CL)-	ME203426	0.96	1.02	1.00	0.99	1.01	1.00
3-OXALOMALIC ACID (M-H)-[-H2O]	ME203453	NA	1.01	NA	0.14	1.34	1.09
GERANYLGERANYL DIPHOSPHATE (M-H)-	ME203520	0.94	1.01	NA	NA	0.98	1.03
O-SUCCINYL-L-HOMOSERINE (M-H)-	ME203595	1.01	1.07	0.75	1.75	0.90	0.91
3-UREIDOPROPIONIC ACID (M-H)-	ME203456	0.64	0.48	NA	3.85	0.85	1.02
3-DEHYDROSHIKIMIC ACID (M-H)-	ME203444	NA	1.13	0.16	NA	NA	1.58
GUANOSINE (M+CL)-	ME203535	1.11	1.17	0.41	1.03	0.70	1.07
PALMITIC ACID (M-H)-	ME203605	1.09	1.07	1.17	1.20	0.80	1.00
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-	ME203483	0.82	1.09	NA	NA	0.43	1.16
OPHTHALMIC ACID (M-H)-	ME203599	1.41	0.69	NA	NA	0.96	0.49
RIBOSE (M+CL)-	ME203628	0.75	0.57	0.40	0.83	1.19	1.58
3-SULFINO-L-ALANINE (M-H)-	ME203455	NA	0.54	NA	0.66	NA	1.80
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME203459	0.91	1.04	0.37	1.01	0.94	1.20
QUINIC ACID (M-H)-	ME203624	0.15	2.73	NA	0.69	0.18	0.25
4-HYDROXYBENZOIC ACID (M-H)-	ME203457	0.97	1.03	0.66	0.71	1.04	1.05
OROTIC ACID (M-H)-	ME203601	0.92	1.19	NA	NA	0.86	0.91
RETINOIC ACID (M-H)-	ME203626	1.68	0.80	1.53	0.04	0.61	1.09
DEOXYURIDINE (M+CL)-	ME203506	0.89	1.01	0.33	1.06	1.04	1.15
OLEIC ACID (M-H)-	ME203596	0.94	1.06	1.33	0.98	0.78	1.20
DEOXYCHOLIC ACID (M-H)-	ME203505	0.46	1.40	0.10	4.83	0.89	0.60
MYRISTOLEIC ACID (M-H)-	ME203580	1.08	1.35	1.46	0.56	0.70	0.77
NERVONIC ACID (M-H)-	ME203592	0.95	0.83	2.48	1.36	0.96	1.05
CITRIC ACID (M-H)-	ME203489	0.17	1.82	0.36	0.69	0.97	0.96
D-GLUCOSAMINE (M+CL)-	ME203496	0.81	0.95	1.01	NA	1.01	1.11
FLAVIN ADENINE DINUCLEOTIDE (M-H)-	ME203517	0.26	1.18	NA	0.16	1.51	0.89
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]	ME203587	0.21	2.36	NA	NA	0.83	0.60
ARACHIDONIC ACID (M-H)-	ME203476	0.78	1.20	1.21	0.91	0.81	1.15
PALMITOLEIC ACID (M-H)-	ME203606	1.18	1.15	1.10	0.81	0.91	0.74
GUANOSINE (M-H)-	ME203536	1.24	1.11	0.60	NA	0.67	1.04
GLUTARIC ACID (M-H)-	ME203527	1.39	1.20	0.53	1.22	0.64	0.75
PANTOTHENIC ACID (M+CL)-	ME203607	0.79	1.23	0.39	0.91	0.87	1.14
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME203451	0.81	1.09	0.39	1.18	1.02	1.13
5-HYDROXYTRYPTOPHAN (M-H)-	ME203465	1.54	0.80	0.67	2.37	0.68	0.91
5-HYDROXYINDOLEACETIC ACID (M-H)-	ME203464	0.94	1.03	0.40	0.90	1.05	1.07
RAFFINOSE (M+CL)-	ME203625	2.11	0.50	0.35	0.42	0.80	0.86
INDICAN (2M+CL)-[-H2O]	ME203546	NA	0.74	NA	NA	1.50	0.75
RIBITOL (M+CL)-	ME203627	0.78	1.02	NA	2.97	0.65	1.06
ITACONIC ACID (M-H)-	ME203553	2.11	1.04	NA	0.34	0.37	0.56
N-ACETYLGLYCINE (M-H)-	ME203585	0.74	1.19	1.50	2.43	0.66	0.92
GLYCEROL MYRISTATE (M+CL)-	ME203531	1.12	0.95	NA	0.92	NA	NA
OXALOACETIC ACID (M-H)-[-H2O]	ME203603	1.04	0.94	1.04	0.95	1.04	0.99
GLUCOSE (M+CL)-	ME203523	1.06	0.34	1.69	0.83	1.37	1.24
GLUCARIC ACID (M-H)-	ME203521	0.79	1.12	0.63	0.55	0.98	1.19
OLEOYL-GLYCEROL (M+CL)-	ME203597	1.07	1.05	NA	0.58	0.83	1.17
DEOXYCHOLIC ACID (2M-H)-	ME203503	0.23	1.21	NA	4.65	0.43	0.46
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME203513	1.02	1.02	1.05	1.00	0.99	0.96
HIPPURIC ACID (M-H)-	ME203539	0.40	1.69	0.96	0.47	0.78	1.01
INOSINE (M-H)-	ME203548	0.89	1.25	0.79	0.65	0.73	1.17
PHYTANIC ACID (M-H)-	ME203612	0.61	1.17	1.05	0.44	1.16	1.09
GLYCERIC ACID (M-H)-	ME203529	0.93	0.97	NA	NA	0.69	1.20
HOMOVANILLIC ACID (M-H)-	ME203543	0.64	1.26	NA	NA	0.98	1.07
D-MANNOSAMINE (M-H)-[-H2O]	ME203499	0.84	1.29	0.84	0.73	0.69	1.21
ORNITHINE (M-H)-	ME203600	0.75	0.93	1.88	NA	NA	NA
5-AMINOPENTANOIC ACID (M-H)-	ME203463	1.06	0.81	NA	NA	1.13	1.03
HEPTADECANOIC ACID (M-H)-	ME203538	0.79	0.99	1.81	0.69	1.03	1.12
MALEIC ACID (M-H)-	ME203570	0.79	1.21	0.48	1.15	1.23	0.84
HOMOVANILLIC ACID (2M-H)-	ME203542	0.93	1.04	0.89	0.97	0.93	1.13
2-DEOXY-D-GLUCOSE (M+CL)-	ME203434	0.67	0.56	1.67	0.62	1.16	1.62
GUANOSINE 5^-PHOSPHATE (M-H)-	ME203537	NA	1.24	NA	NA	0.52	0.51
METHYL BETA-D-GALACTOSIDE (M+CL)-	ME203575	0.34	1.23	5.24	1.26	0.34	1.07
CIS-ACONITIC ACID (M-H)-	ME203487	0.76	1.51	NA	0.27	NA	0.94
HYPOXANTHINE (M-H)-	ME203545	1.13	0.90	0.16	1.14	0.88	1.23
LAURIC ACID (M-H)-	ME203564	0.39	1.20	0.38	0.15	1.28	1.25
PYRUVIC ACID (M-H)-	ME203623	0.94	0.72	NA	0.94	1.15	1.27
FUMARIC ACID (M-H)-	ME203518	1.26	0.84	0.45	0.75	1.11	0.94
INOSINE (M+CL)-	ME203547	1.12	1.53	0.50	0.37	0.75	0.66
N-ACETYL-L-ALANINE (M-H)-	ME203583	1.19	0.85	0.96	1.53	0.99	0.87
CHOLIC ACID (M-H)-	ME203485	0.90	1.07	NA	2.02	0.71	0.81
PIMELIC ACID (M-H)-	ME203614	NA	1.70	0.34	NA	0.96	0.35
ADENOSINE 5^-MONOPHOSPHATE (M-H)-	ME203467	0.77	1.14	NA	NA	2.23	0.27
CITRAMALIC ACID (M-H)-	ME203488	1.33	0.37	NA	1.15	0.36	1.39
BENZOIC ACID (M-H)-	ME203481	1.68	0.62	0.34	1.62	0.71	1.07
ALLOPREGNANOLONE (M+CL)-	ME203472	1.23	1.04	NA	NA	0.94	0.84
GLUCONIC ACID (M-H)-	ME203522	0.21	0.68	NA	0.14	3.80	0.68
ALLANTOIN (M-H)-	ME203471	0.51	0.51	0.55	0.47	1.15	1.75
ERUCIC ACID (M-H)-	ME203514	0.75	0.98	2.48	0.98	0.92	1.16
PHTHALIC ACID (M-H)-	ME203611	1.81	0.99	NA	NA	0.85	0.49
GLUTAMINE (M-H)-	ME203526	1.18	0.69	0.41	1.18	1.55	0.69
OXALIC ACID (M-H)-	ME203602	2.59	0.56	NA	0.03	0.91	0.80
DEOXYCHOLIC ACID (M+CL)-	ME203504	0.50	1.31	0.29	4.18	0.96	0.66
KYNURENIC ACID (M-H)-	ME203554	1.00	1.60	NA	NA	0.66	0.74
D-GLUCOSE 6-PHOSPHATE (M-H)-	ME203498	NA	1.94	NA	NA	0.66	0.87
PHENYLPYRUVIC ACID (M-H)-	ME203610	0.34	1.09	NA	NA	1.06	1.33
LANTHIONINE (M-H)-	ME203563	1.41	0.57	0.98	0.45	NA	1.62
PANTOTHENIC ACID (M-H)-	ME203608	0.94	1.15	0.49	0.66	0.90	1.10
N-ACETYL-D-GLUCOSAMINE (M+CL)-	ME203582	0.82	0.64	0.88	0.81	1.20	1.52
BEHENIC ACID (M-H)-	ME203479	0.65	1.02	0.51	0.75	0.88	1.57
3-PHOSPHOGLYCERIC ACID (M-H)-	ME203454	0.68	2.28	0.66	0.21	0.67	0.20
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME203435	1.03	0.80	NA	NA	1.77	0.84
LINOLEIC ACID (M-H)-	ME203567	0.86	1.17	2.65	0.90	0.62	1.13
INOSINE 5^-PHOSPHATE (M-H)-	ME203550	0.29	0.64	NA	NA	2.06	0.32
CREATINE (M-H)-	ME203492	0.64	1.46	NA	NA	0.46	1.43
17ALPHA-HYDROXYPROGESTERONE (M+CL)-	ME203428	NA	0.51	NA	NA	1.05	1.44
SERINE (M-H)-	ME203632	1.33	0.71	NA	NA	2.16	0.78
KYNURENINE (M-H)-	ME203555	0.92	1.08	1.85	0.89	0.88	0.96
MEVALONIC ACID (M-H)-	ME203578	1.04	0.82	1.81	1.23	1.09	0.95
N-OLEOYLGLYCINE (M-H)-	ME203590	0.71	NA	NA	NA	1.65	0.98
SEBACIC ACID (M-H)-	ME203631	0.40	0.98	0.39	0.29	0.72	1.79
L-ARGININE (M-H)-	ME203556	1.04	0.89	NA	NA	0.67	1.21
LEUKOTRIENE B4 (M-H)-	ME203565	2.55	0.76	0.42	0.11	0.42	0.64
ADIPIC ACID (M-H)-	ME203469	1.61	1.05	1.04	1.95	0.70	0.54
DEOXYURIDINE (M-H)-	ME203507	0.84	1.18	0.53	NA	0.85	1.08
CIS-11-EICOSENOIC ACID (M-H)-	ME203486	0.74	1.07	0.95	0.55	1.00	1.24
METHYL VANILLATE (M-H)-	ME203576	0.27	1.32	NA	NA	0.84	0.79
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-	ME203436	0.66	0.95	1.06	1.24	1.46	0.95
MYRISTIC ACID (M-H)-	ME203579	1.02	1.07	1.27	0.82	0.95	0.94
N-ACETYLNEURAMINIC ACID (M-H)-	ME203586	0.31	0.67	NA	NA	1.20	1.30
2-METHYLMALEIC ACID #2 (M-H)-	ME203438	0.26	0.30	NA	NA	1.20	1.35
5-OXOPROLINE (M-H)-	ME203466	1.10	1.00	0.83	1.14	0.88	1.05
ISOCITRIC ACID (M-H)-	ME203551	0.30	1.38	0.72	1.26	0.69	1.56
2-OXOADIPIC ACID (M-H)-	ME203439	1.91	1.58	NA	NA	NA	0.26
CITRULLINE (M-H)-	ME203490	0.87	0.64	1.05	NA	1.06	1.23

Factors:

F1	Age Category:Old \| Sex of individual:Female
F2	Age Category:Old \| Sex of individual:Male
F3	Age Category:Old \| Sex of individual:Young
F4	Age Category:Unknown \| Sex of individual:Male
F5	Age Category:Young \| Sex of individual:Female
F6	Age Category:Young \| Sex of individual:Male

Data matrix