Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001933)

(Analysis AN003143)

Metabolite	Structure	F1	F2	F3
3-Indolepropionic acid	ME442614	0.10	0.25	2.08
Nicotinic acid	ME442590	0.42	0.74	1.48
3-Aminobenzoic acid	ME442592	0.58	0.82	1.36
Norvaline	ME442740	0.56	0.85	1.34
gamma-Aminobutyric acid	ME442578	0.29	1.14	1.34
Hippuric acid	ME442604	0.44	1.01	1.24
p-Hydroxyphenylacetic acid	ME442661	1.78	0.76	0.80
Indoleacetic acid	ME442611	1.45	1.02	0.76
Benzoic acid	ME442609	1.37	0.86	0.93
Isoursodeoxycholic acid	ME442689	1.45	0.88	0.86
Aspartic acid	ME442598	0.54	1.21	1.06
Phenylpyruvic acid	ME442620	0.51	1.22	0.98
Fumaric acid	ME442612	0.55	1.42	0.83
Maleic acid	ME442672	0.64	1.31	0.91
Malic acid	ME442606	0.53	1.32	0.94
Shikimic acid	ME442633	0.73	0.59	1.47
CAR 18:2	ME442735	0.93	0.66	1.33
Suberic acid	ME442678	0.95	0.64	1.34
Xylose	ME442649	0.96	0.63	1.34
CAR 18:0	ME442736	1.02	0.61	1.33
CAR 18:1	ME442734	0.98	0.59	1.36
D-Ribulose	ME442650	1.05	1.25	0.76
Glycochenodeoxycholic acid	ME442694	1.10	1.22	0.76
Docosapentaenoic acid (22n-6)	ME442711	1.12	1.16	0.81
Threonic acid	ME442583	1.09	1.19	0.80
CAR 4:0;3Me	ME442725	1.06	1.17	0.83
Erythronic acid	ME442631	1.03	1.21	0.81
Xylulose	ME442651	0.98	1.23	0.79
Maltotriose	ME442640	0.94	1.30	0.81
Taurochenodeoxycholic acid	ME442683	0.92	1.23	0.87
CAR 12:0	ME442731	0.88	1.26	0.83
Margaric acid	ME442716	0.91	1.23	0.81
Bishomo-gamma-linolenic acid	ME442708	1.13	1.09	0.86
Arachidonic acid	ME442707	1.06	1.11	0.88
Maltose	ME442567	1.08	1.09	0.89
Kynurenine	ME442597	1.13	0.99	0.94
N-Acetylaspartic acid	ME442607	1.10	0.99	0.96
N-Acetylalanine	ME442605	1.10	1.06	0.91
Glutamine	ME442573	1.08	1.03	0.93
2-Hydroxyphenylacetic acid	ME442665	1.07	1.04	0.93
Oxalic acid	ME442671	1.06	1.04	0.93
Glycoursodeoxycholic acid	ME442687	1.19	1.09	0.82
N-Acetyl-D-glucosamine	ME442654	1.19	1.05	0.87
Glucose	ME442639	1.25	1.01	0.87
Gluconolactone	ME442624	1.22	0.95	0.93
Phenyllactic acid	ME442670	1.20	0.95	0.95
Chenodeoxycholic acid	ME442690	1.22	0.98	0.91
Glucaric acid	ME442600	1.18	1.00	0.91
N-Acetylglycine	ME442629	1.20	1.00	0.89
Dimethylglycine	ME442577	1.15	0.93	0.99
Glucose 6-phosphate	ME442739	1.16	0.94	0.97
Phthalic acid	ME442675	1.13	0.92	1.00
3-Hydroxybutyric acid	ME442641	1.11	0.94	1.00
N-Acetylserine	ME442632	1.10	0.94	1.00
Glycolic acid	ME442625	1.11	0.86	1.07
4-Hydroxybenzoic acid	ME442602	1.15	0.86	1.03
CAR 14:0	ME442732	1.14	0.89	1.03
Glyceraldehyde	ME442656	1.26	0.76	1.08
alpha-N-Phenylacetylglutamine	ME442667	1.32	0.81	1.01
Methylsuccinic acid	ME442673	1.21	0.89	1.01
3,4-Dihydroxyhydrocinnamic acid	ME442594	1.27	0.87	0.97
N-Acetylglutamine	ME442634	1.25	0.86	1.00
Pyroglutamic acid	ME442638	1.01	0.96	1.03
ortho-Hydroxyphenylacetic acid	ME442603	1.01	0.95	1.04
Proline	ME442628	1.01	0.94	1.04
Isoleucine	ME442647	0.98	0.97	1.03
Sarcosine	ME442562	0.99	0.99	1.02
5-Hydroxylysine	ME442559	1.00	0.97	1.03
Acetic acid	ME442636	1.00	0.98	1.02
Threonine	ME442580	1.00	0.98	1.02
Homovanillic acid	ME442658	1.03	0.99	1.00
Fructose 6-phosphate	ME442737	1.02	1.01	0.98
Propionic acid	ME442655	1.04	1.01	0.98
Palmitic acid	ME442715	1.03	1.00	0.98
Aminoadipic acid	ME442599	1.04	1.00	0.99
Citrulline	ME442565	1.04	1.00	0.98
Phenylacetic acid	ME442610	1.06	0.97	1.00
CAR DC3:0	ME442722	1.05	0.97	0.99
N-Methylnicotinamide	ME442669	1.05	0.97	1.00
5-Amino-levulinic acid	ME442555	1.05	0.96	1.02
Citramalic acid	ME442714	1.06	0.94	1.03
EPA	ME442706	1.06	0.94	1.02
Histidine	ME442570	0.92	0.99	1.05
Lactulose	ME442563	0.93	1.01	1.03
Pelargonic acid	ME442691	0.93	1.00	1.04
Phenylalanine	ME442596	0.95	1.00	1.03
Tyrosine	ME442593	0.94	0.99	1.03
Fructose	ME442653	0.96	0.94	1.07
2-Methyl-4-pentenoic acid	ME442560	0.96	0.97	1.04
Leucine	ME442648	0.96	0.98	1.04
Glutamic acid	ME442574	0.93	0.97	1.06
Alanine	ME442566	0.93	0.96	1.06
10Z-Heptadecenoic acid	ME442561	0.94	0.96	1.06
3-Hydroxyisovaleric acid	ME442645	0.94	0.96	1.06
cis-/trans-Aconitic acid	ME442613	0.98	1.03	0.98
Hydroxypropionic acid	ME442584	0.98	1.04	0.98
Citric acid	ME442679	0.97	1.03	0.99
Glyceric acid	ME442627	0.97	1.02	1.00
Tryptophan	ME442662	0.94	1.05	0.99
DPA	ME442710	0.95	1.03	1.00
Isovaleric acid	ME442668	0.95	1.03	1.00
Homoserine	ME442581	0.94	1.02	1.02
2-Methylbutanoic acid	ME442608	0.94	1.02	1.01
3-Methyl-2-oxovaleric acid	ME442619	0.95	1.02	1.01
Creatine	ME442582	0.98	1.07	0.95
GMP	ME442587	1.02	1.06	0.94
2S-Aminobutyric acid	ME442626	1.01	1.05	0.96
Valine	ME442637	1.01	1.03	0.97
2-Hydroxybutyric acid	ME442644	0.99	1.13	0.89
Melatonin	ME442554	0.88	1.16	0.92
Ketoisovaleric acid	ME442617	0.93	1.14	0.92
Adrenic acid	ME442712	0.94	1.16	0.90
DHA	ME442709	0.94	1.18	0.88
Nonadeca-10Z-enoic acid	ME442719	0.90	1.03	1.02
Myristic acid	ME442699	0.92	1.05	1.00
Norleucine	ME442657	0.91	1.04	1.01
Lysine	ME442569	0.86	1.04	1.04
Methionine	ME442642	0.87	1.03	1.04
CAR 4:0;2Me	ME442724	0.86	1.06	1.02
Isobutyric acid	ME442664	0.88	1.05	1.01
N-Acetyl-alpha-neuraminic acid	ME442635	0.85	1.12	0.97
CAR DC5:0	ME442727	0.86	1.08	1.00
Ketoleucine	ME442618	0.87	1.09	0.98
Myristelaidic acid	ME442568	0.86	1.10	0.98
Methylcysteine	ME442591	0.89	1.11	0.96
Carnosine	ME442576	0.92	1.10	0.95
Glycine	ME442622	0.91	1.10	0.96
Arginine	ME442571	0.93	1.11	0.94
Carnitine	ME442564	0.94	1.10	0.95
CAR 4:0;OH,Me	ME442726	0.63	1.04	1.15
Glycodeoxycholic acid	ME442695	0.73	0.98	1.10
Oleic acid	ME442717	0.84	0.98	1.10
Linoleic acid	ME442704	0.89	0.98	1.07
Anserine	ME442557	0.87	0.98	1.08
Serine	ME442579	0.87	0.99	1.08
CAR 3:0	ME442721	0.80	1.03	1.07
Guanidoacetic acid	ME442623	0.82	1.01	1.08
Cystine	ME442575	0.79	1.00	1.10
Pyruvic acid	ME442682	0.78	1.01	1.10
2-Hydroxy-3-methylbutyric acid	ME442601	0.80	0.98	1.12
Linoelaidic acid	ME442705	0.81	0.99	1.11
5-Dodecenoic acid	ME442696	0.70	1.11	1.05
Ribose 5-phosphate	ME442738	0.79	1.09	1.04
1H-Indole-3-acetamide	ME442588	0.76	1.07	1.05
Capric acid	ME442692	0.74	1.09	1.05
10-Hendecenoic acid	ME442693	0.81	1.15	0.96
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid	ME442659	0.79	1.17	0.96
CAR 4:0	ME442723	0.79	1.17	0.96
Butyric acid	ME442663	0.72	1.15	0.99
Caprylic acid	ME442688	0.75	1.14	1.00
gamma-Linolenic acid	ME442703	0.87	0.76	1.27
Lauric acid	ME442697	0.84	0.80	1.26
alpha-Linolenic acid	ME442702	0.75	0.85	1.26
Oxoglutaric acid	ME442685	0.75	0.85	1.29
Malonic acid	ME442666	0.74	0.89	1.22
Myristoleic acid	ME442698	0.78	0.88	1.21
Azelaic acid	ME442616	1.10	0.69	1.22
Glutaconic acid	ME442646	1.12	0.74	1.14
Methylmalonic acid	ME442621	1.08	0.75	1.18
Succinic acid	ME442713	1.05	0.76	1.18
CAR 16:0	ME442733	1.08	0.79	1.15
Isocitric acid	ME442680	1.04	0.79	1.16
Adipic acid	ME442674	0.99	0.78	1.20
Pimelic acid	ME442676	0.99	0.77	1.20
Asparagine	ME442595	1.03	0.82	1.14
Caproic acid	ME442677	1.00	0.83	1.15
CAR 2:0	ME442720	1.03	0.93	1.05
Rhamnose	ME442652	1.05	0.91	1.06
Pipecolic acid	ME442630	0.99	0.90	1.09
6-Octadecylenic acid	ME442718	1.03	0.87	1.10
Ornithine	ME442572	1.03	0.86	1.11
Cholic acid	ME442684	0.96	0.90	1.12
2-Furoic acid	ME442660	0.92	0.88	1.14
4-Hydroxyphenylpyruvic acid	ME442615	0.94	0.88	1.13
2-Hydroxyisobutyric acid	ME442643	0.93	0.89	1.12
Heptylic acid	ME442681	0.94	0.89	1.12
Palmitoleic acid	ME442701	0.85	0.89	1.17
Lactic acid	ME442589	0.87	0.93	1.12
Pentadecylic acid	ME442700	0.85	0.92	1.14
Ribonic acid	ME442558	0.29	2.34	0.20
CAR 10:0	ME442730	0.54	1.80	0.53
3,4-Dihydroxymandelic acid	ME442556	0.50	1.93	0.45
CAR 8:0	ME442729	0.51	1.95	0.38
Gly-Pro	ME442585	1.16	1.62	0.37
CAR 6:0	ME442728	0.65	1.65	0.35
AMP	ME442586	0.89	1.52	0.61
Glycocholic acid	ME442686	0.84	1.66	0.46

Factors:

F1	Group:CA
F2	Group:CO
F3	Group:H

Data matrix