Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002955)

(Analysis AN004852)

Metabolite	Structure	F1	F2	F3	F4
Caffeine	ME764300	2.19	1.28	1.05	0.35
4-Pyridoxic acid	ME764287	3.91	1.13	0.56	0.52
Piperine	ME764407	3.88	1.15	0.54	0.57
Tranexamic acid	ME764446	3.35	1.03	0.72	0.52
2,4-Dihydroxybenzoic acid	ME764273	2.92	0.92	0.76	0.66
Glycerol 3-phosphate	ME764328	2.81	1.04	0.69	0.78
2,5-Dihydroxybenzaldehyde	ME764274	0.20	1.09	0.14	2.72
2-Hydroxyhippuric acid (mzCloud ID 1)	ME764276	0.13	1.06	0.09	2.84
Ecgonine methyl ester	ME764439	0.12	0.68	1.60	0.46
Benzoylecgonine (mzCloud ID 1)	ME764436	0.01	0.68	1.62	0.47
Benzoylecgonine (mzCloud ID 2)	ME764437	0.04	0.64	1.61	0.49
Anthranilic acid (mzCloud ID 1)	ME764434	0.02	0.88	1.70	0.27
Pregabalin	ME764444	0.09	0.78	1.83	0.06
10-Hydroxydecanoic acid	ME764264	1.83	0.88	0.89	0.89
Methyl indole-3-acetate	ME764383	1.72	0.98	0.94	0.81
2,3-Dihydroxybenzoic acid	ME764272	1.67	1.03	0.89	0.91
Mesalamine	ME764440	1.68	1.03	0.84	0.99
4-Methylphenol	ME764286	1.24	1.01	1.05	0.82
9-Methyluric acid	ME764290	1.26	1.05	0.98	0.92
Methionine sulfoxide	ME764382	1.19	1.06	0.98	0.93
Pyroglutamic acid	ME764409	1.17	1.07	1.00	0.91
4-Hydroxyproline	ME764285	1.33	0.99	0.95	0.95
?-Linolenic Acid	ME764262	1.29	1.00	0.95	0.96
L-Ergothioneine	ME764358	1.31	0.98	0.98	0.92
Indole-3-lactic acid	ME764342	1.27	0.98	0.98	0.94
Indole-3-pyruvic acid	ME764343	1.26	0.96	0.99	0.93
Nicotinamide	ME764394	1.22	0.93	1.02	0.91
3-Phosphoglyceric acid	ME764284	1.20	1.04	0.95	0.99
L-Lactic acid	ME764368	1.22	1.00	0.97	0.97
L-Alanine	ME764349	1.17	0.97	0.99	0.96
Ornithine	ME764398	1.19	0.99	0.99	0.94
D-Erythro-sphingosine 1-phosphate	ME764316	1.22	0.95	0.97	0.98
N-Phenylacetylglutamine (mzCloud ID 2)	ME764396	1.18	0.94	0.97	1.00
Bilirubin (mzCloud ID 1)	ME764298	1.12	0.84	0.92	1.13
(±)9-HpODE	ME764258	1.14	0.98	0.90	1.12
Pipecolic acid	ME764406	1.16	1.03	0.90	1.09
2,6-Di-tert-butyl-1,4-benzoquinone	ME764275	1.24	0.98	0.90	1.07
Phenyllactic acid	ME764405	1.20	0.97	0.94	1.04
Pantothenic acid	ME764403	1.50	0.92	0.82	1.12
Adenosine monophosphate	ME764292	1.36	1.01	0.90	1.01
Adenosine triphosphate	ME764293	1.35	0.90	0.92	1.03
ADP	ME764294	1.33	0.93	0.92	1.03
Inosinic acid	ME764344	1.54	0.98	0.94	0.90
DHAP/GAP	ME764319	1.46	0.90	0.95	0.92
3-Methylxanthine	ME764283	1.42	0.91	0.97	0.91
Pyruvic acid	ME764410	1.39	0.93	0.97	0.92
N-Acetyl-L-carnosine	ME764391	1.45	0.97	0.91	0.98
2-Oxindole	ME764278	1.45	1.03	0.93	0.93
3-Indoxyl sulphate	ME764279	1.44	1.00	0.95	0.91
Theophylline (mzCloud ID 1)	ME764418	1.54	1.02	1.14	0.54
L-Iditol	ME764364	1.38	1.00	1.06	0.75
Anthranilic acid (mzCloud ID 2)	ME764435	1.54	1.03	1.00	0.77
D-Fructose	ME764317	1.49	0.97	1.02	0.78
D-(-)-Lyxose	ME764310	1.48	1.00	1.03	0.76
(+/-)-CP 47,497-C8-Homolog	ME764429	0.85	0.79	1.00	1.13
N6,N6,N6-Trimethyl-L-lysine	ME764387	1.04	1.01	1.08	0.85
Deoxycholic Acid	ME764315	0.91	0.98	1.15	0.80
D-(-)-Quinic acid	ME764311	0.90	1.05	1.11	0.84
Ecgonine	ME764438	0.92	1.05	1.09	0.87
Indole-3-acetic acid	ME764341	0.73	0.99	1.06	1.01
Methylimidazoleacetic acid	ME764384	0.74	0.99	1.04	1.04
Decanoic acid	ME764312	0.78	1.06	1.03	1.01
Glycerophospho-N-palmitoyl ethanolamine	ME764329	0.78	1.02	1.05	0.99
Quinolinic acid	ME764411	0.72	0.96	1.12	0.93
Acetyl-β-methylcholine	ME764433	0.79	0.99	1.09	0.93
L-Acetylcarnitine	ME764348	0.79	1.01	1.09	0.94
L-Cysteine-S-sulfate	ME764356	0.83	0.95	1.04	1.02
Orotic acid	ME764399	0.81	0.94	1.03	1.04
Oleoyl-L-α-lysophosphatidic acid	ME764397	0.82	1.01	1.05	0.99
N-Acetyl-5-aminosalicylic acid	ME764441	0.83	0.98	1.05	1.00
Propionylcarnitine	ME764408	0.84	0.97	1.04	1.00
7-Methylguanine	ME764288	0.86	0.94	1.02	1.05
Valdecoxib	ME764447	0.88	0.95	1.01	1.05
D-Glucose	ME764318	0.88	0.99	1.01	1.04
Symmetric dimethylarginine	ME764415	0.86	0.98	1.02	1.03
Sarcosine	ME764412	0.90	0.97	1.01	1.03
Xanthine	ME764427	0.89	0.98	1.02	1.01
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid	ME764259	0.91	1.00	0.98	1.07
L-Proline	ME764373	0.92	1.00	0.97	1.08
Arachidonic acid	ME764295	0.87	1.02	0.99	1.06
D-δ-Tocopherol	ME764325	0.84	1.01	1.00	1.06
Isoquinoline	ME764345	0.87	0.92	1.08	0.95
L-Kynurenine	ME764367	0.96	0.97	1.06	0.92
Citrulline	ME764306	0.94	0.99	1.04	0.95
Betaine	ME764296	0.92	1.03	1.03	0.97
D-Saccharic acid (mzCloud ID 2)	ME764324	0.93	0.99	1.03	0.98
δ-Ribono-1,4-lactone	ME764428	0.92	1.01	1.02	0.99
Oxoglutaric acid	ME764400	0.89	0.96	1.04	0.99
Glycocholic acid	ME764331	0.91	0.96	1.06	0.95
2/3-Hydroxybutyrate	ME764430	0.89	0.98	1.06	0.95
L-Carnitine	ME764355	0.90	0.98	1.06	0.95
Hypoxanthine	ME764340	1.01	1.00	0.92	1.13
S-Methyl-L-cysteine-S-oxide	ME764413	1.00	1.00	0.95	1.09
13(S)-HOTrE	ME764267	0.99	0.90	0.91	1.19
Decanoylcarnitine (mzCloud ID 2)	ME764314	0.97	0.98	0.90	1.19
Taurine	ME764416	1.11	1.03	0.97	0.99
DL-4-Hydroxyphenyllactic acid	ME764320	1.09	0.98	1.01	0.96
Guanidineacetic acid	ME764333	1.11	1.00	1.01	0.94
L-Cystine	ME764357	1.12	0.95	0.99	0.98
L-Asparagine	ME764352	1.09	0.97	0.99	0.99
N-Phenylacetylglutamine (mzCloud ID 1)	ME764395	1.11	0.98	0.98	0.99
L-Aspartic acid	ME764353	1.04	1.08	1.01	0.94
L-Arginine	ME764350	1.00	1.00	1.03	0.95
L-Lysine	ME764370	1.03	1.00	1.02	0.96
L-Glyceric acid	ME764362	1.02	1.06	1.00	0.97
L-Valine	ME764380	1.02	1.02	1.00	0.98
Tetradecanedioic acid	ME764417	1.02	1.03	1.00	0.98
N6-Acetyl-L-lysine (mzCloud ID 1)	ME764388	0.98	1.01	1.01	1.00
(2R)-2,3-Dihydroxypropanoic acid (mzCloud ID 1)	ME764260	0.99	1.01	1.00	1.00
Fisetin	ME764326	0.98	1.01	1.00	1.00
L-Histidine	ME764363	0.98	0.99	1.00	1.01
Isorhamnetin	ME764346	0.97	0.99	1.00	1.02
L-Tyrosine	ME764378	0.97	0.99	1.00	1.01
L-Leucine	ME764369	0.97	1.01	0.99	1.02
L-Tryptophan	ME764377	0.98	1.00	0.99	1.03
1-Methylhistidine	ME764269	0.99	1.00	1.02	0.98
L-Threonic acid	ME764375	0.96	1.01	1.02	0.98
L-Phenylalanine	ME764372	0.97	0.97	0.97	1.07
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one	ME764271	0.96	0.95	1.00	1.03
L-Glutamine	ME764361	0.95	0.98	1.01	1.02
1-Methylnicotinamide	ME764270	0.94	1.01	0.99	1.03
L-Glutamic acid	ME764360	0.96	0.97	0.99	1.05
L-Serine	ME764374	0.95	1.00	0.98	1.05
trans-Cinnamic acid	ME764422	0.96	0.99	0.99	1.04
Choline	ME764303	1.03	1.02	0.97	1.03
L-Ascorbic acid 2-sulfate	ME764351	1.01	1.02	0.97	1.04
Creatinine	ME764309	1.00	0.96	1.00	1.02
L-Isoleucine	ME764366	1.01	0.99	1.00	1.01
Citric acid	ME764305	1.01	0.99	0.98	1.03
L-Threonine	ME764376	1.02	0.99	0.99	1.02
Acetophenone	ME764291	1.02	0.97	0.99	1.02
Uridine	ME764426	1.03	0.98	0.99	1.02
1,5-Anhydro-D-glucitol	ME764263	1.00	0.98	0.97	1.05
Hexanoylcarnitine	ME764336	1.00	0.99	0.97	1.05
N-Acetyl-L-alanine	ME764390	1.03	0.96	0.98	1.04
Lauric acid	ME764354	1.04	0.99	0.96	1.05
L-Methionine	ME764371	1.03	0.99	0.97	1.04
Glycine	ME764330	1.07	0.97	0.96	1.05
Testosterone sulfate	ME764445	1.09	0.98	0.96	1.03
cis-Aconitic acid	ME764304	1.05	1.01	0.99	0.99
Leucylproline	ME764359	1.05	0.98	1.00	0.99
N-Acetylneuraminic acid	ME764392	1.06	1.01	0.97	1.02
Malic acid	ME764381	1.07	0.98	0.98	1.00
Uric acid	ME764425	1.07	0.99	0.98	1.01
Palmitoyl sphingomyelin	ME764402	0.97	0.83	0.98	1.09
N6-Acetyl-L-lysine (mzCloud ID 2)	ME764389	1.05	0.92	1.02	0.97
Luteolin	ME764379	1.05	0.89	1.00	1.03
D-Saccharic acid (mzCloud ID 1)	ME764323	1.03	0.85	1.01	1.01
Hydroxyisocaproic acid	ME764339	1.03	0.84	1.01	1.03
Decanoylcarnitine (mzCloud ID 1)	ME764313	0.89	1.06	0.87	1.24
Bilirubin (mzCloud ID 2)	ME764299	0.78	1.16	0.91	1.18
Glutaric acid	ME764327	0.77	1.23	0.89	1.21
16-Hydroxyhexadecanoic acid	ME764268	0.71	1.11	1.02	1.05
Guvacoline (mzCloud ID 1)	ME764334	0.65	0.95	1.11	0.98
8Z,11Z,14Z-Eicosatrienoic acid	ME764289	0.66	0.99	1.04	1.07
Creatine	ME764308	0.69	1.03	1.03	1.07
Pentadecanoic Acid	ME764404	0.68	1.03	1.03	1.08
(2R)-2,3-Dihydroxypropanoic acid (mzCloud ID 2)	ME764261	0.59	0.99	1.09	1.02
Docosahexaenoic Acid	ME764322	0.61	1.02	1.05	1.07
N-Acetylornithine	ME764393	0.61	1.00	1.06	1.06
trans-10-Heptadecenoic Acid	ME764420	0.59	0.98	1.02	1.13
Palmitoleic Acid	ME764401	0.57	1.00	0.99	1.18
trans-Petroselinic acid	ME764423	0.60	1.00	1.00	1.16
11(E)-Eicosenoic Acid	ME764265	0.72	1.03	0.93	1.22
11(Z),14(Z)-Eicosadienoic Acid	ME764266	0.76	1.01	1.00	1.10
3-Methylhistidine	ME764281	0.75	1.02	0.99	1.11
Guvacoline (mzCloud ID 2)	ME764335	0.70	0.98	1.01	1.11
Linoleic acid	ME764365	0.70	0.99	0.97	1.17
Myristic acid	ME764385	0.69	1.00	0.98	1.15
N-(2-hydroxyphenyl)acetamide	ME764386	0.47	0.88	1.10	1.08
20 β-Dihydroprednisolone	ME764431	0.51	1.11	1.11	0.97
Acetaminophen glucuronide	ME764432	0.47	1.02	1.10	1.03
Glycoursodeoxycholic acid	ME764332	0.73	0.95	1.24	0.73
Hippuric acid (mzCloud ID 2)	ME764338	0.66	1.06	1.19	0.79
Hippuric acid (mzCloud ID 1)	ME764337	0.67	1.06	1.22	0.74
Trimethylamine N-oxide	ME764424	0.68	1.07	1.22	0.73
2-Hydroxyhippuric acid (mzCloud ID 2)	ME764277	0.70	1.00	1.22	0.75
Bicyclo Prostaglandin E2	ME764297	0.70	1.02	1.22	0.75
Cholic acid (mzCloud ID 1)	ME764301	0.48	0.96	1.22	0.85
3-methylphenylacetic acid	ME764282	0.54	1.02	1.24	0.78
Cholic acid (mzCloud ID 2)	ME764302	0.56	1.02	1.23	0.78
3-Methoxyphenylacetic acid	ME764280	0.90	1.04	1.24	0.62
Theophylline (mzCloud ID 2)	ME764419	1.13	1.11	1.15	0.67
Paracetamol	ME764443	0.27	0.82	0.78	1.73
Sucrose	ME764414	0.52	0.78	0.74	1.70
L(-)-Carnitine	ME764347	0.16	0.97	1.27	0.90
trans-3-Hydroxycotinine	ME764421	0.11	0.63	1.09	1.33
Cotinine	ME764307	0.09	1.02	1.02	1.32
DL-Stachydrine	ME764321	0.28	0.99	0.97	1.33
N-Acetyl-L-leucine	ME764442	0.33	0.97	1.06	1.18

Factors:

F1	Group:HC
F2	Group:n/a
F3	Group:Progressor
F4	Group:VNP

Data matrix