Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000919)

(Analysis AN001506)

Metabolite	Structure	F1	F2	F3	F4
Acetaminophen/Paracetamol	ME232354	1.46	0.60	1.86	0.41
GLYCEROL	ME232389	1.29	0.80	1.40	0.70
CREATINE_R1	ME232378	1.47	0.65	1.31	0.82
Ursodeoxycholic Acid (UDCA)_R1	ME232488	1.37	0.65	1.38	0.84
NICOTINAMIDE-N-OXIDE	ME232458	0.73	1.01	0.52	1.59
Anthranilate	ME232362	0.79	0.49	1.70	1.14
Methionine Sulfoxide	ME232440	0.74	0.53	1.45	1.35
GLYCOCHOLATE	ME232390	0.73	0.90	1.53	0.85
Glycoursodeoxycholic acid (G-UDCA)_R1	ME232395	0.99	0.80	1.35	0.95
N-ACETYLGLYCINE	ME232446	0.98	0.76	1.48	0.89
Ursodeoxycholic Acid (UDCA)_R2	ME232489	1.09	0.68	1.52	0.87
N-ACETYL-L-ASPARTIC ACID_R1	ME232447	0.83	0.68	1.44	1.12
5-Hydroxy-N-formylkynurenine	ME232348	0.80	0.70	1.51	1.06
Formyl-5-hydroxykynurenamine	ME232386	0.80	0.71	1.46	1.08
5-AMINOLEVULINIC ACID_R2	ME232344	0.83	0.79	1.33	1.08
Formylkynurenine	ME232387	0.91	0.77	1.34	1.05
N-ACETYL-L-ASPARTIC ACID_R2	ME232448	0.89	0.78	1.29	1.08
Diphenylamine	ME232383	0.83	0.80	1.28	1.12
Dodecanoylcarnitine_R2	ME232385	0.79	0.82	1.25	1.15
Myristoylcarnitine	ME232442	0.82	0.83	1.19	1.16
SUCCINATE	ME232475	0.76	0.84	1.17	1.21
Pulegone	ME232467	0.60	1.35	1.06	0.81
Sphingosine (d18:1)	ME232473	0.66	1.09	0.81	1.30
SEROTONIN	ME232470	0.53	1.31	0.86	1.08
SEROTONIN-NH3	ME232471	0.56	1.25	0.84	1.16
Hippuric Acid	ME232400	1.61	1.00	0.85	0.70
6C-SUGAR ALCOHOL	ME232350	1.51	1.03	0.70	0.87
Taurochenodesoxycholic acid (T-CDCA)_R1	ME232477	1.44	1.11	0.64	0.85
Cholic Acid_R1	ME232374	1.27	1.08	1.05	0.67
Cholic Acid_R3	ME232376	1.27	1.06	1.07	0.68
3-HYDROXYKYNURENINE	ME232337	1.31	1.02	0.80	0.93
Chenodeoxycholic Acid (CDCA)_R2	ME232372	1.35	0.98	0.91	0.85
Chenodeoxycholic Acid (CDCA)_R1	ME232371	1.22	0.99	0.93	0.91
Hydroxyhippuric acid	ME232402	1.26	1.06	0.89	0.85
2,6-Dimethylheptanoyl Carnitine_R1	ME232331	1.24	1.16	0.62	0.98
ANTHRANILATE/4-AMINOBENZOATE_R2	ME232364	1.15	1.10	0.87	0.88
HOMOCYSTEINE	ME232401	1.17	1.10	0.84	0.90
Chenodeoxycholyglycine (GCDCA)	ME232373	1.18	1.12	0.74	0.96
HIPPURATE	ME232399	1.10	1.15	0.79	0.93
ANTHRANILATE/4-AMINOBENZOATE_R1	ME232363	1.24	1.15	0.76	0.86
Taurochenodesoxycholic acid (T-CDCA)_R2	ME232478	1.17	1.25	0.71	0.83
4-GUANIDINOBUTANOATE	ME232340	0.78	0.91	1.01	1.26
Cholic Acid_R2	ME232375	0.76	0.88	1.08	1.24
6-Quinolincarboxylic Acid	ME232353	0.64	0.82	1.01	1.45
Dodecanoylcarnitine_R1	ME232384	0.80	0.73	1.10	1.38
5-HYDROXY-L-TRYPTOPHAN_R2	ME232346	0.95	0.74	1.04	1.31
5-HYDROXY-L-TRYPTOPHAN_R1	ME232345	1.05	0.75	0.94	1.32
Stachydrine	ME232474	1.02	0.75	0.87	1.39
N1-Methyl-4-pyridone-5-carboxamide	ME232444	0.94	0.89	0.88	1.28
NICOTINAMIDE	ME232457	0.85	0.95	0.78	1.36
3-HYDROXYANTHRANILIC ACID	ME232336	0.92	0.84	0.82	1.41
N-Methylnicotinamide	ME232460	0.90	0.86	0.72	1.48
Acyl-Carnitine(4-OH)_R2	ME232357	1.04	0.93	1.20	0.89
CREATINE_R2	ME232379	1.18	0.89	1.17	0.86
Acyl-Carnitine(4-OH)_R1	ME232356	0.96	1.03	1.37	0.67
GLUCOSAMINE/MANNOSAMINE	ME232388	0.95	1.09	1.23	0.73
2,6-Dimethylheptanoyl Carnitine_R2	ME232332	1.06	1.02	0.72	1.17
Isovalerylcarnitine_R2	ME232406	0.91	1.14	0.66	1.19
Xanthurenic Acid	ME232490	0.79	1.23	0.68	1.15
4-IMIDAZOLEACETIC ACID	ME232341	0.82	1.03	0.87	1.20
UROCANATE_R1	ME232486	0.89	0.97	0.92	1.18
Source Fragment TRP	ME232472	0.93	1.00	0.91	1.12
Tryptophan	ME232481	0.94	0.99	0.94	1.10
Tryptophan-NH3	ME232483	0.94	1.00	0.93	1.11
L-KYNURENINE	ME232413	0.98	0.98	0.93	1.10
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	ME232424	0.97	1.00	0.93	1.08
2-Hydroxyphenylalanine	ME232334	0.95	0.97	0.95	1.11
Phenylalanine	ME232464	0.97	0.98	0.96	1.08
TAURINE	ME232476	0.95	0.97	0.98	1.09
LysoPC (18:2)_R2	ME232431	0.95	0.99	1.00	1.04
Pyroglutamic Acid	ME232469	0.97	1.00	0.97	1.05
URATE	ME232484	0.90	1.00	0.98	1.09
L-PROLINE	ME232421	0.92	1.03	0.94	1.08
L-CARNITINE	ME232409	0.93	1.01	0.98	1.06
Isovalerylcarnitine_R1	ME232405	0.91	1.02	0.97	1.06
N(PAI)-METHYL-L-HISTIDINE	ME232443	0.92	1.03	0.96	1.05
4-AMINOBUTANOATE (GABA)	ME232339	0.98	0.99	0.89	1.12
2-AMINO-2-METHYLPROPANOATE	ME232333	0.97	1.04	0.87	1.09
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME232456	1.00	1.02	0.85	1.10
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE	ME232361	0.89	1.09	0.86	1.10
3-UREIDOPROPIONATE	ME232338	0.91	1.10	0.85	1.07
6-DEOXY-HEXOSE_R1	ME232351	0.90	1.10	0.85	1.08
Acyl-Carnitine(5-OH)	ME232358	0.89	1.05	0.87	1.14
Kynurenic Acid	ME232407	0.88	1.05	0.89	1.11
L-Isoleucine	ME232412	0.93	1.04	0.87	1.12
L-LEUCINE	ME232415	0.93	1.02	0.89	1.12
BUTYROBETAINE	ME232368	0.89	1.05	0.92	1.09
CREATININE	ME232381	0.93	1.04	0.90	1.09
Proprionylcarnitine	ME232466	0.91	1.05	0.90	1.08
L-Phenylalanine 13C6	ME232420	1.04	0.95	1.03	1.01
L-Leucine 13C6	ME232416	1.06	0.95	1.03	0.99
L-Leucine-D10	ME232417	1.06	0.95	1.04	0.98
Creatine-D3	ME232380	1.03	0.94	1.02	1.04
Caffeine-D3	ME232370	1.03	0.97	1.00	1.01
N-BOC-L-tert-Leucine	ME232453	1.04	0.97	0.99	1.01
L-ARGININE	ME232408	0.96	0.91	1.13	1.02
L-SERINE	ME232422	0.98	0.91	1.10	1.03
Glycyl-L-leucine	ME232398	0.99	0.93	1.09	1.02
Octanoylcarnitine	ME232462	0.99	0.92	1.09	1.02
3-(Hydroxyphenyl) Propionic Acid	ME232335	0.99	0.98	1.06	0.98
Acyl-Carnitine(2:0)	ME232355	0.98	0.96	1.09	0.98
L-Tyrosine 13C6	ME232423	1.02	0.93	1.05	1.02
O-ACETYL-L-SERINE	ME232461	1.01	0.94	1.08	0.99
Tryptophan-2,3,3-D3	ME232482	1.01	0.94	1.07	1.01
N-ALPHA-ACETYL-L-LYSINE	ME232450	0.99	0.93	1.06	1.04
N-BOC-L-Aspartic Acid_R2	ME232452	1.00	0.93	1.04	1.05
BOC-L-Tyrosine_R1	ME232366	0.98	0.96	1.05	1.02
BOC-L-Tyrosine_R2	ME232367	1.00	0.96	1.02	1.02
ALDO/KETO-HEXOSE	ME232360	0.98	0.97	1.03	1.03
BOC-D-Phenylalanine	ME232365	0.99	0.96	1.03	1.03
LysoPE (18:0)_R2	ME232433	0.87	0.95	1.06	1.10
LysoPE (20:4)_R2	ME232437	0.86	0.98	1.07	1.07
Tetrahydrothiophene-1-oxide	ME232479	0.98	0.89	1.08	1.07
LL-2,6-DIAMINOHEPTANEDIOATE	ME232414	0.97	0.88	1.06	1.11
N-BOC-L-Aspartic Acid_R1	ME232451	0.97	0.89	1.06	1.11
LysoPC (18:0)	ME232429	0.93	0.91	1.09	1.08
N-BOC-L-Tryptophan_R1	ME232454	0.92	0.91	1.10	1.07
LysoPC (16:0)_R1	ME232425	0.96	0.93	1.05	1.07
L-GLUTAMINE	ME232410	0.95	0.95	1.05	1.05
N-BOC-L-Tryptophan_R2	ME232455	0.95	0.94	1.07	1.05
CITRULLINE	ME232377	0.93	0.94	1.11	1.03
LysoPC (16:0)_R2	ME232426	0.92	0.94	1.10	1.04
ADENINE	ME232359	0.92	0.97	1.08	1.03
N-Acetyl-Arginine	ME232445	0.92	0.95	1.07	1.06
Isobutyrylcarnitine	ME232404	1.09	0.99	0.96	0.97
LysoPE (22:6)_R1	ME232438	1.13	0.97	0.98	0.95
5-METHYLCYTOSINE HYDROCLORIDE	ME232349	1.02	1.05	0.97	0.96
L-METHIONINE_R1	ME232418	1.00	1.05	0.98	0.96
C5-SUGAR ALCOHOL	ME232369	1.03	1.00	1.01	0.97
N-ACETYLPUTRESCINE	ME232449	1.01	1.01	1.03	0.96
5,6-DIHYDROURACIL	ME232342	1.00	1.00	0.95	1.04
6-DEOXY-HEXOSE_R2	ME232352	1.00	0.99	0.98	1.03
THREONINE/HOMOSERINE	ME232480	1.02	1.00	0.97	1.01
LysoPC (18:2)_R1	ME232430	1.02	1.02	0.94	1.01
PIPECOLATE/L-PIPECOLIC ACID	ME232465	0.99	1.04	0.95	1.01
URIDINE	ME232485	1.03	0.97	0.95	1.06
UROCANATE_R2	ME232487	1.07	0.98	0.94	1.02
LysoPE (18:0)_R1	ME232432	1.00	0.80	1.19	1.07
LysoPE (22:6)_R2	ME232439	0.99	0.83	1.13	1.10
Glycoursodeoxycholic acid (G-UDCA)_R3	ME232397	0.91	0.95	1.23	0.93
Pantothenic Acid	ME232463	0.92	0.96	1.22	0.91
METHYL INDOLE-3-ACETATE	ME232441	0.94	0.99	1.10	0.96
Glycoursodeoxycholic acid (G-UDCA)_R2	ME232396	0.90	1.01	1.13	0.95
LysoPC (16:1)_R1	ME232427	0.89	0.99	1.13	0.97
LysoPC (16:1)_R2	ME232428	0.79	0.93	1.19	1.06
Decanoylcarnitine	ME232382	0.93	0.90	1.17	1.03
L-HISTIDINE	ME232411	0.88	0.89	1.16	1.07
L-METHIONINE_R2	ME232419	1.01	1.14	0.77	1.03
Glycocholic Acid (GCA)_R2	ME232392	0.97	1.26	0.81	0.87
Glycocholic Acid (GCA)_R1	ME232391	0.96	1.20	0.87	0.90
Glycodeoxycholic acid (GDCA)_R1	ME232393	0.95	1.16	0.89	0.94
Glycodeoxycholic acid (GDCA)_R2	ME232394	0.94	1.18	0.90	0.92
N-METHYL-D-ASPARTIC ACID	ME232459	0.73	1.04	1.00	1.15
5-Hydroxymethyl-2-furaldehyde	ME232347	0.84	1.03	1.05	1.03
PYRIDOXAL	ME232468	0.80	1.05	1.00	1.09
LysoPE (18:1)_R2	ME232435	0.87	1.15	0.93	0.97
HYPOXANTHINE	ME232403	0.82	1.18	0.87	1.03
LysoPE (18:1)_R1	ME232434	0.81	1.14	0.93	1.02
5-AMINOLEVULINIC ACID_R1	ME232343	0.81	1.19	1.00	0.91
LysoPE (20:4)_R1	ME232436	0.83	1.12	1.01	0.97

Factors:

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

Data matrix