Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002178)

HILIC NEGATIVE ION MODE (Analysis AN003567)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
Urate	ME531617	8.00	0.30	0.28	0.38	0.38	0.26	0.28	NA	0.23	0.24	0.27	0.22
Glucose	ME531635	6.22	0.85	0.40	0.50	0.43	0.61	0.46	NA	0.35	0.46	0.33	0.27
3-Indoxyl Sulfate	ME531664	5.05	0.38	1.11	1.86	1.39	1.07	0.42	NA	0.20	0.18	0.10	0.37
2-Hydroxyisobutyrate/2-Hydroxybutyrate	ME531541	5.63	0.35	0.62	1.31	0.66	0.52	0.47	NA	0.20	0.76	0.48	0.18
3-Hydroxyisovaleric Acid	ME531552	4.72	0.43	0.81	1.41	0.88	0.48	0.55	NA	0.38	0.87	0.40	0.35
N-Ac-Glutamate	ME531650	0.76	0.58	0.58	5.76	0.68	0.49	1.12	NA	0.59	0.47	0.46	0.50
UDP-Glucose	ME531737	NA	0.61	0.64	3.24	0.21	0.34	1.01	NA	1.20	0.12	0.12	2.25
Azelaic Acid	ME531647	0.41	1.26	3.57	3.47	0.99	0.80	1.08	NA	0.13	0.15	0.15	0.13
Cholic Acid	ME531718	1.43	3.20	0.61	1.40	0.64	NA	0.38	NA	0.31	NA	0.40	0.28
Malondialdehyde	ME531529	NA	2.46	2.38	0.82	0.41	1.00	1.38	NA	0.48	0.41	0.24	0.40
Pseudouridine	ME531675	1.63	0.35	1.59	2.92	2.64	1.06	0.82	NA	0.25	1.17	0.42	0.24
Cystathionine	ME531666	0.61	0.78	0.98	3.19	1.99	0.75	0.96	NA	0.54	0.86	0.88	0.82
Orotate	ME531601	0.77	1.23	1.38	2.12	2.15	0.94	0.95	NA	0.81	0.56	0.70	0.75
Allantoin	ME531602	0.06	0.42	1.94	3.58	3.27	1.49	0.91	NA	0.31	0.97	0.54	0.32
N-Carbamoyl-B-Alanine	ME531567	0.19	0.43	1.52	4.44	1.82	1.01	0.84	NA	0.42	1.18	0.52	0.30
Adenine	ME531569	NA	0.90	0.37	0.47	0.32	0.64	0.80	NA	2.60	0.52	0.59	1.78
N-Acetyl-Aspartyl-Glutamate (NAAG)	ME531694	0.13	0.60	0.31	1.08	0.35	0.49	1.02	NA	2.00	1.06	1.82	1.14
Glutaric Acid	ME531564	1.67	0.69	1.01	2.07	0.93	0.65	1.02	NA	0.82	0.85	0.89	0.74
N-Ac-Alanine	ME531561	1.86	0.83	1.01	1.91	1.24	0.79	0.90	NA	0.66	0.99	0.68	0.67
3HBA	ME531540	1.47	0.55	0.74	1.86	1.04	0.94	0.84	NA	0.48	1.69	1.05	0.57
N-AcetylGlycine	ME531547	1.43	0.49	1.10	1.85	1.26	1.01	0.90	NA	0.37	2.00	0.79	0.30
Indole-3-Propionate	ME531651	2.46	0.75	0.55	0.64	NA	0.87	0.82	NA	0.55	0.48	0.39	0.17
Mannitol	ME531642	2.86	0.95	0.69	0.93	1.07	0.98	0.79	NA	0.71	0.77	0.67	0.82
Sucrose	ME531705	3.14	0.69	1.06	0.83	0.59	0.98	0.88	NA	0.76	0.75	0.58	0.63
Oxalacetate	ME531565	2.66	0.63	0.92	1.31	1.16	0.59	0.92	NA	0.66	0.86	0.96	0.61
Guanidinoacetate	ME531548	2.41	1.22	0.70	1.16	0.83	0.56	0.72	NA	0.89	0.80	0.72	0.92
2-Hydroxyphenylacetate	ME531591	2.32	0.82	0.91	1.08	0.89	0.84	0.84	NA	0.71	1.11	0.76	0.76
6C13-Glucose	ME531645	1.97	0.84	0.90	0.85	0.92	0.89	0.91	NA	0.91	0.93	0.91	0.86
n-isoButyrylglycine	ME531578	NA	0.35	0.75	2.42	1.09	2.06	0.59	NA	0.35	1.57	0.27	0.17
n-isoValerylglycine	ME531603	0.17	0.76	1.31	2.88	1.18	1.80	0.85	NA	0.50	1.80	0.25	0.38
Lactose/Trehalose	ME531704	0.06	1.69	1.42	1.72	1.78	1.92	1.11	NA	0.53	0.88	0.71	0.42
trans-Aconitate	ME531621	0.73	1.39	0.86	1.50	1.25	3.01	0.69	NA	0.49	0.88	0.60	0.58
2-Aminoadipate	ME531604	0.50	0.54	0.47	2.76	1.15	0.54	1.01	NA	0.66	1.62	1.46	0.60
Itaconic Acid	ME531560	NA	0.05	1.04	2.09	1.50	0.05	0.63	NA	NA	1.30	0.80	NA
Suberic Acid	ME531624	1.20	0.84	2.40	1.80	1.04	0.69	1.33	NA	0.46	0.74	0.43	0.55
Pentothenate	ME531665	0.03	0.94	1.05	1.16	1.91	0.98	1.03	NA	1.03	0.53	1.68	1.32
G1P/F1P/F6P	ME531684	NA	0.83	1.05	0.97	1.66	0.92	0.97	NA	0.48	1.97	1.25	0.38
G6P	ME531683	NA	0.78	1.07	0.93	1.60	0.93	1.04	NA	0.52	1.92	1.28	0.37
Glucosamine-6-Phosphate	ME531682	NA	1.09	1.11	1.37	1.86	0.84	0.78	NA	0.67	1.30	1.13	0.65
Uracil	ME531544	0.02	0.76	1.32	1.78	1.37	0.68	1.14	NA	0.68	1.67	1.19	0.73
Arabitol/Xylitol	ME531593	1.04	1.33	1.21	1.23	1.50	0.96	0.93	NA	1.02	0.64	0.48	1.22
Adenylosuccinate	ME531724	1.14	0.72	0.89	0.84	0.85	0.89	1.02	NA	0.87	1.38	1.19	0.95
Citrulline	ME531626	1.21	0.93	0.78	1.17	1.37	0.74	0.86	NA	1.13	0.92	0.78	1.36
3C13-Lactate	ME531535	0.89	0.97	0.96	0.93	0.96	1.01	1.03	NA	1.05	1.08	1.05	0.99
Linolenic Acid	ME531689	1.12	1.33	0.91	1.01	1.11	1.13	0.99	NA	0.87	1.03	0.72	0.98
N-Acetyl-Aspartate (NAA)	ME531627	0.97	1.25	0.86	1.09	1.11	1.00	0.97	NA	1.02	1.00	0.95	1.01
Lactate	ME531532	1.62	1.19	1.07	1.22	1.12	0.87	0.92	NA	0.88	0.70	0.77	0.92
Cholesteryl Sulfate	ME531726	1.41	1.21	1.19	0.85	0.97	0.89	0.89	NA	0.89	0.85	0.88	0.98
Palmitic Acid	ME531679	1.40	1.10	0.91	1.01	0.94	0.78	0.98	NA	1.04	1.03	0.76	0.99
gamma-Aminobutyrate	ME531538	0.55	1.30	0.66	0.68	0.66	0.90	0.99	NA	1.31	1.05	1.01	1.38
Reduced Glutathione	ME531697	NA	1.03	0.51	0.98	1.46	0.81	1.14	NA	0.77	1.13	1.17	1.26
Glycerol-3-P	ME531620	0.01	1.29	0.96	1.00	1.55	0.93	1.04	NA	0.93	1.60	0.84	1.17
NADP	ME531741	NA	1.38	1.10	0.70	1.61	0.82	0.90	NA	0.82	1.23	0.83	1.02
dCTP	ME531727	NA	0.70	0.88	0.74	0.70	0.97	1.02	NA	1.28	1.48	0.80	1.02
Arachidonate	ME531695	0.32	1.04	0.83	1.11	0.85	0.72	1.08	NA	1.05	1.44	1.25	1.02
Inositol	ME531634	0.48	0.99	0.83	1.25	0.68	0.80	1.04	NA	1.35	1.20	0.89	1.13
Sedoheptulose 7-Phosphate	ME531692	NA	0.81	0.92	1.06	0.97	0.83	1.02	NA	0.78	1.63	1.13	0.74
IMP	ME531709	NA	1.13	1.02	1.00	1.22	0.92	1.00	NA	0.71	1.22	0.98	0.98
Linoleic Acid	ME531690	0.35	1.06	1.05	1.13	1.23	1.00	1.04	NA	0.88	1.42	0.97	1.03
Pyridoxal-5-P	ME531678	NA	1.08	1.12	1.18	1.11	0.97	0.94	NA	1.05	1.18	0.77	0.77
Ribulose 5-Phosphate	ME531671	NA	1.16	0.96	1.00	0.86	1.05	0.95	NA	0.92	1.25	1.04	0.73
Acetylphosphate	ME531576	NA	1.11	0.97	0.96	0.81	1.05	0.91	NA	1.16	0.99	0.87	1.01
Ribose-5-P	ME531670	NA	1.19	0.88	0.94	0.91	0.99	0.94	NA	1.01	1.14	0.88	1.02
AMP	ME531708	NA	1.08	0.89	0.99	0.84	0.79	0.86	NA	1.23	0.89	0.90	1.27
Hypoxanthine	ME531571	0.20	1.41	0.94	1.19	0.77	1.13	1.05	NA	1.31	0.85	0.76	1.26
Oxidized Glutathione	ME531739	NA	1.34	0.96	1.18	0.87	1.03	0.82	NA	1.10	0.66	0.78	1.24
n-Formylmethionine	ME531632	0.72	1.12	1.00	1.41	1.30	0.93	0.98	NA	0.87	1.09	0.96	0.95
N-Acetylneuraminate	ME531699	0.45	1.28	1.04	1.62	1.16	1.09	0.99	NA	0.89	0.94	0.86	1.02
Xanthine	ME531590	0.15	1.34	1.00	1.48	1.03	1.13	1.12	NA	1.02	0.99	0.93	0.96
NADH	ME531740	NA	1.42	1.02	1.23	1.22	0.77	0.99	NA	0.89	0.69	0.82	1.21
ADP	ME531720	NA	1.28	0.95	0.97	1.32	1.01	0.89	NA	0.95	0.80	1.10	1.01
CMP	ME531702	NA	1.26	0.91	1.10	1.31	1.08	0.95	NA	0.93	0.98	0.78	1.03
DTMP	ME531701	NA	0.96	0.98	1.57	1.30	1.17	0.99	NA	0.85	0.68	0.81	1.18
Fumaric Acid	ME531545	NA	1.10	0.90	1.31	1.15	0.91	0.91	NA	0.85	1.01	0.98	1.06
o-Phosphoethanolamine	ME531577	NA	1.03	1.04	1.60	1.21	0.83	0.93	NA	0.78	1.06	0.95	0.88
UDP-GlcNAc	ME531738	NA	1.14	0.95	1.53	1.47	0.82	0.96	NA	0.89	0.93	0.89	0.93
isoValeric Acid /4-Oxobutanoate/Acetoacetate	ME531536	0.65	0.72	1.38	1.74	1.22	1.15	1.04	NA	0.87	0.73	0.95	0.99
3-Methyl-3-Hydroxyglutaric Acid	ME531607	NA	1.04	1.24	2.46	1.03	1.14	0.95	NA	0.65	0.82	0.80	0.48
Xanthosine	ME531691	NA	1.09	0.91	1.75	0.80	1.00	1.00	NA	0.84	0.97	1.10	0.64

Factors:

F1	Age Group:instrument quality control \| Treatment:-
F2	Age Group:Old \| Treatment:Ctrl
F3	Age Group:Old \| Treatment:LPS1
F4	Age Group:Old \| Treatment:LPS1-peptide
F5	Age Group:Old \| Treatment:LPS1_peptide
F6	Age Group:Old \| Treatment:peptide
F7	Age Group:sample quality control \| Treatment:-
F8	Age Group:- \| Treatment:-
F9	Age Group:Young \| Treatment:Ctrl
F10	Age Group:Young \| Treatment:LPS3
F11	Age Group:Young \| Treatment:LPS3_peptide
F12	Age Group:Young \| Treatment:peptide

Data matrix