Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Investigating Eicosanoids Implications on the Blood Pressure Response to Thiazide Diuretics (Study ST000919)

Reversed phase NEGATIVE ION MODE (Analysis AN001507)

Metabolite	Structure	F1	F2	F3	F4
2,4-Dinitrophenol (herbicide)	ME232492	0.23	2.40	0.28	0.50
DEOXYCHOLATE	ME232542	1.40	0.66	1.24	0.91
CATECHOL	ME232531	1.72	0.57	1.13	0.89
Tauroursodeoxycholic acid (T-UDCA)	ME232623	1.62	0.79	1.06	0.75
ASCORBIC ACID	ME232522	0.93	1.58	0.32	0.95
ALPHA-KETOGLUTARIC ACID	ME232519	0.89	1.52	0.57	0.84
3-METHYL-2-OXOVALERIC ACID	ME232501	0.92	1.30	0.64	1.01
4-METHYL-2-OXO-PENTANOIC ACID	ME232507	0.94	1.31	0.63	0.99
LysoPE (18:1)_R1	ME232586	0.97	1.45	0.86	0.60
SHIKIMATE	ME232614	1.28	1.16	0.72	0.85
Taurochenodesoxycholic acid (T-CDCA)	ME232621	1.31	1.20	0.71	0.80
Taurocholic acid (TCA)	ME232622	1.26	1.24	0.69	0.80
Billirubin	ME232526	0.52	0.79	1.54	1.13
L-Cysteine-S-Sulfate	ME232570	0.72	0.59	1.45	1.30
Vanilloylglycine	ME232630	1.01	0.75	0.93	1.35
L-GLUTAMIC ACID	ME232571	0.69	1.03	1.04	1.15
6-Hydroxycaproic acid_R1	ME232513	0.69	1.19	0.92	1.07
6-Hydroxycaproic acid_R2	ME232514	0.72	1.15	0.89	1.10
Testosterone sulfate	ME232624	0.63	1.09	0.82	1.32
AZELAIC ACID	ME232524	0.80	1.18	0.69	1.19
18-HEPE	ME232491	0.76	1.02	0.90	1.23
4-Hydroxybenzenesulfonic Acid	ME232505	0.90	1.05	0.81	1.18
Xanthurenic Acid	ME232632	0.80	1.10	0.81	1.19
P-Cresol Sulfate	ME232607	1.10	0.99	1.13	0.83
N-AMIDINO-L-ASPARTATE	ME232598	1.12	0.86	1.20	0.91
3,4-Dihydroxybenzenesulfonic Acid_R1	ME232497	1.20	0.90	1.09	0.90
CREATINE	ME232541	1.22	0.87	1.19	0.84
SARCOSINE/BETA-ALANINE	ME232613	1.19	0.88	1.17	0.86
Cholic Acid_R1	ME232535	1.33	0.95	1.19	0.67
Cholic Acid_R2	ME232536	1.32	0.99	1.13	0.68
3,4-Dihydroxyphenyl propionic acid	ME232499	1.38	0.98	0.96	0.79
4-Hydroxyphenylacetate	ME232506	1.31	1.01	0.95	0.81
GLYCERIC ACID_R1	ME232552	1.30	0.91	0.98	0.91
3,4-Dihydroxybenzenesulfonic Acid_R2	ME232498	1.28	0.93	1.08	0.81
Chenodeoxycholic Acid (CDCA)_R1	ME232532	1.36	0.89	1.05	0.83
4-GUANIDINOBUTANOATE	ME232504	0.75	0.88	1.06	1.26
METHYL BETA-D-GALACTOSIDE	ME232592	0.82	0.84	1.10	1.23
Sulfoacetaldehyde	ME232618	0.90	0.78	1.22	1.14
SUCCINATE	ME232616	0.78	0.76	1.28	1.20
5-HYDROXY-L-TRYPTOPHAN_R2	ME232512	0.74	0.84	1.18	1.21
ALLANTOIN	ME232517	0.80	0.85	1.19	1.16
3-SULFINO-L-ALANINE	ME232502	0.85	0.74	1.40	1.08
Caffeine-D3	ME232530	0.87	0.73	1.43	1.04
LysoPE (22:6)	ME232589	1.01	0.83	1.21	1.02
CITRATE	ME232538	1.02	0.84	1.24	0.97
GLYCERIC ACID_R2	ME232553	1.04	0.85	1.22	0.96
Eicosapentaenoic Acid	ME232546	0.95	0.78	1.27	1.06
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME232549	0.90	0.88	1.20	1.04
N-FORMYLGLYCINE	ME232605	0.94	0.86	1.24	1.00
Sphingosine-1-phosphate	ME232615	0.91	0.84	1.24	1.04
3-Hydroxydecanoic acid	ME232500	0.87	0.90	1.36	0.90
Arachidonic Acid (20:4)	ME232521	0.85	0.92	1.30	0.95
Docosahexaenoic Acid (22:6)	ME232544	0.91	0.82	1.36	0.97
GLYCOCHOLATE_R1	ME232554	0.91	0.83	1.43	0.89
Glycocholic Acid (GCA)	ME232556	1.01	1.24	0.84	0.85
HYPOXANTHINE	ME232562	0.88	1.20	0.90	0.94
LysoPE (18:1)_R2	ME232587	0.91	1.14	1.00	0.90
3-(2-HYDROXYPHENYL)PROPANOATE	ME232495	0.96	1.03	0.91	1.07
L-ISOLEUCINE	ME232575	0.92	1.02	0.91	1.11
L-VALINE	ME232582	0.95	1.00	0.89	1.13
N-METHYL-L-GLUTAMATE	ME232606	0.85	1.12	0.91	1.04
ERYTHRITOL	ME232547	0.96	1.10	0.87	1.02
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID	ME232493	0.93	1.10	0.84	1.06
3-UREIDOPROPIONATE	ME232503	0.90	1.09	0.88	1.07
3-(4-HYDROXYPHENYL)LACTATE	ME232496	0.84	0.95	1.00	1.17
LL-2,6-DIAMINOHEPTANEDIOATE	ME232576	0.87	0.93	1.02	1.16
CITRAMALATE	ME232537	0.87	1.00	1.05	1.06
ASPARTATE	ME232523	0.84	1.05	0.97	1.07
Kynurenic Acid	ME232566	0.89	1.01	0.96	1.10
5-AMINOLEVULINIC ACID	ME232509	0.81	0.98	1.21	0.97
LysoPE (16:0)	ME232584	0.94	0.95	1.23	0.91
LysoPE (18:0)	ME232585	0.92	1.01	1.19	0.88
Plasmenyl-LysoPE (P-18:1)	ME232608	0.94	1.00	1.17	0.90
CITRULLINE	ME232540	0.90	0.93	1.15	1.02
EDTA	ME232545	0.87	0.88	1.18	1.08
INDOLE-3-ACETATE	ME232563	0.86	0.91	1.15	1.08
TARTARIC ACID	ME232619	0.99	0.84	1.14	1.07
5-HYDROXY-L-TRYPTOPHAN_R1	ME232511	0.93	0.93	1.07	1.08
N-BOC-L-Aspartic Acid_R1	ME232599	0.95	0.88	1.09	1.10
N-BOC-L-Aspartic Acid_R2	ME232600	0.94	0.87	1.11	1.10
L-CARNITINE	ME232569	1.06	1.00	1.05	0.92
CITRIC ACID-13C6	ME232539	1.07	0.90	1.08	1.00
ANTHRANILATE	ME232520	1.07	0.92	1.13	0.93
L-Tyrosine-13C6	ME232581	1.04	0.93	1.13	0.95
PYRIDOXAL	ME232610	1.07	0.95	1.05	0.96
L-Phenylalanine-13C6	ME232579	1.04	0.94	1.08	0.97
N-BOC-L-tert-Leucine_R2	ME232602	1.03	0.95	1.07	0.97
GLYCOLATE	ME232558	1.02	0.96	1.10	0.96
N-BOC-L-tert-Leucine_R1	ME232601	1.03	0.94	1.10	0.97
Salicylic Acid-D4	ME232612	1.00	0.93	1.08	1.01
BOC-L-Tyrosine_R2	ME232528	0.98	0.94	1.09	1.01
C6H12O6-HEXOSE/KETOSE/INOSITOL	ME232529	0.97	0.94	1.09	1.02
L-SERINE	ME232580	1.03	0.91	1.08	1.02
Propionic Acid-13C3	ME232609	1.00	0.91	1.09	1.03
NALPHA-ACETYL-L-LYSINE	ME232597	0.99	0.90	1.14	1.00
ALDOPENTOSE	ME232515	0.98	0.93	1.13	0.98
BOC-L-Tyrosine_R1	ME232527	0.98	0.92	1.12	1.00
SUCCINIC ACID-13C4	ME232617	0.97	0.90	1.11	1.04
N-BOC-L-Tryptophan_R1	ME232603	0.95	0.92	1.13	1.02
N-BOC-L-Tryptophan_R2	ME232604	0.95	0.93	1.11	1.03
LysoPE (20:4)	ME232588	0.92	0.99	1.12	0.97
LACTATE-dimer	ME232568	0.99	1.00	1.05	0.96
LysoPC (18:1)	ME232583	0.96	0.99	1.10	0.96
Mono-(2-Ethylhexyl) Phthalate Dimer	ME232593	0.98	0.97	1.09	0.97
L-Leucine-13C6	ME232577	1.02	0.96	1.04	0.99
THREONINE/HOMOSERINE	ME232625	1.02	0.97	1.02	1.00
L-HISTIDINE	ME232573	0.98	0.95	1.04	1.04
URIDINE	ME232628	1.02	0.94	1.03	1.03
5-hydroxyindoleacetic acid	ME232510	0.99	0.94	1.00	1.08
TAURINE	ME232620	0.94	0.95	1.02	1.08
Tryptophan	ME232626	0.95	0.99	0.99	1.06
XANTHINE	ME232631	0.96	0.97	0.99	1.07
LACTATE	ME232567	0.92	1.01	1.02	1.02
URATE	ME232627	0.96	0.99	1.04	1.01
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID	ME232543	0.94	0.98	1.05	1.01
MALATE	ME232590	0.93	0.99	1.04	1.02
L-GLUTAMINE	ME232572	0.96	0.95	1.07	1.03
4-oxoproline	ME232508	0.95	0.97	1.06	1.03
GLUCOSE/FRUCTOSE_R1	ME232550	0.94	0.97	1.05	1.04
GLUCOSE/FRUCTOSE_R2	ME232551	0.94	0.97	1.05	1.04
N-ACETYL-D-MANNOSAMINE	ME232595	1.02	1.03	0.97	0.97
ISOCITRIC ACID	ME232565	0.95	1.04	1.03	0.96
ALPHA-HYDROXYISOBUTYRIC ACID	ME232518	0.95	1.04	0.96	1.02
Salicylamide	ME232611	0.96	1.02	0.99	1.02
Mannitol	ME232591	1.27	1.02	0.73	1.03
INDOXYL SULFATE	ME232564	1.08	1.10	0.78	1.01
L-METHIONINE	ME232578	1.02	1.12	0.81	1.01
HEXANESULFONIC ACID-Sulfate	ME232561	1.06	0.98	0.91	1.06
N-ACETYL-DL-SERINE	ME232594	1.09	0.97	0.98	0.98
Glycodeoxycholic acid (GDCA)	ME232557	1.12	1.09	0.89	0.90
2-Hydroxyhippuric acid	ME232494	1.17	1.02	0.92	0.93
Chenodeoxycholic Acid (CDCA)_R2	ME232533	1.18	0.97	0.93	0.97
12(S)-HETE	ME232633	0.76	1.16	1.24	0.77
Glycoursodeoxycholic acid (G-UDCA)_R1	ME232559	0.74	1.09	1.52	0.63
Ursodeoxycholic Acid (UDCA)	ME232629	0.88	0.68	1.81	0.76
Ferulic acid sulfate	ME232548	1.17	0.73	1.39	0.86
GLYCOCHOLATE_R2	ME232555	0.84	0.88	1.59	0.74
Linoleic Acid (18:2)	ME232574	0.94	0.77	1.51	0.88
N-ACETYLGLYCINE	ME232596	0.99	0.73	1.50	0.90
a-LINOLENIC ACID	ME232516	0.94	0.84	1.48	0.82
Glycoursodeoxycholic acid (G-UDCA)_R2	ME232560	0.99	0.83	1.51	0.77
Biliverdin	ME232525	0.91	0.44	2.15	0.73
CHOLATE	ME232534	0.35	0.54	2.71	0.52

Factors:

F1	Response:NR \| Gender:Female
F2	Response:NR \| Gender:Male
F3	Response:R \| Gender:Female
F4	Response:R \| Gender:Male

Data matrix