Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Gut microbiome structure and metabolic activity in inflammatory bowel disease (Study ST001000)

HILIC NEGATIVE ION MODE (Analysis AN001879)

Metabolite	Structure	F1	F2	F3
eicosapentaenoic acid	ME272666	1.28	0.35	1.07
lactate	ME272687	1.33	0.18	1.22
alpha-hydroxybutyrate	ME272647	1.21	0.24	1.31
taurine	ME272722	1.26	0.29	1.23
citrate	ME272660	0.99	0.65	1.27
succite	ME272720	1.10	0.59	1.18
4-nitrophenol	ME272641	0.96	0.39	1.49
salicylate	ME272714	0.80	0.50	1.57
erythronic acid	ME272667	1.29	0.59	0.97
hydroxyisovaleric acid	ME272683	1.42	0.52	0.86
2-hydroxy-3-methylpentanoic acid / leucinic acid	ME272635	1.38	0.47	0.94
imidazolelactate	ME272685	1.38	0.42	0.99
oxalate	ME272701	1.40	0.70	0.74
urate	ME272729	1.41	0.71	0.74
2-Aminobutyric Acid	ME272634	1.62	0.51	0.64
sorbitol	ME272718	1.57	0.57	0.65
asparagine	ME272652	1.50	0.56	0.74
quinic acid	ME272710	1.51	0.49	0.78
linoleoyl ethanolamide	ME272691	1.84	0.28	0.54
tartarate	ME272721	1.99	0.14	0.45
taurodeoxycholate/taurochenodeoxycholate	ME272723	1.95	0.14	0.56
glycocholate	ME272676	1.57	0.07	1.02
cystine	ME272662	1.63	0.11	0.81
cholate	ME272659	1.76	0.17	0.72
docosapentaenoate	ME272665	1.68	0.27	0.76
nicotinate	ME272699	0.94	1.52	0.68
thymine	ME272725	0.89	1.54	0.73
pentadecanoate	ME272703	0.78	1.44	0.93
glycerate	ME272675	0.82	1.43	0.89
ascorbate	ME272651	0.81	1.47	0.87
shikimate	ME272717	0.81	1.47	0.88
pseudouridine	ME272708	0.81	1.54	0.80
deoxyinosine	ME272663	0.76	1.55	0.86
1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME272632	0.72	1.60	0.84
N-acetylglutamate	ME272698	0.74	1.63	0.83
lithocholate	ME272692	1.09	1.28	0.69
phenylacetate	ME272704	1.08	1.27	0.71
propionate	ME272707	1.06	1.33	0.69
butyrate / isobutytare	ME272655	1.03	1.31	0.73
homovanillate	ME272681	1.05	1.30	0.71
Methylbutyric aid / Valeric / Isovaleric	ME272697	1.01	1.45	0.66
orotate	ME272700	1.09	1.41	0.60
glutamate	ME272673	0.94	1.30	0.85
xanthine	ME272732	0.96	1.27	0.85
glucurote	ME272672	0.93	1.25	0.89
fumarate/maleate	ME272671	0.92	1.30	0.88
malate	ME272694	0.92	1.28	0.89
pyrocatechol	ME272709	0.87	1.28	0.93
guanine	ME272677	0.86	1.33	0.86
inosine	ME272686	0.89	1.32	0.88
pantothete	ME272702	0.98	1.34	0.78
hypoxanthine	ME272684	0.88	1.40	0.84
uracil	ME272728	0.91	1.41	0.80
xylose	ME272733	0.92	1.41	0.76
saccharin	ME272713	0.79	1.26	1.04
4-pyridoxate	ME272642	0.91	1.16	0.99
citrulline	ME272661	0.92	1.20	0.95
2-Methylglutaric acid	ME272637	1.30	1.07	0.60
chenodeoxycholate/deoxycholate	ME272658	1.22	1.19	0.61
acesulfame	ME272643	1.31	0.91	0.56
L-phenyllactic Acid	ME272693	1.24	0.97	0.75
ribitol	ME272711	1.30	0.91	0.71
fructose/glucose/galactose	ME272669	1.11	0.89	0.96
acetylalanine	ME272644	1.09	0.92	0.96
phenylalanine	ME272705	1.10	0.91	0.95
alanine	ME272646	1.07	1.00	0.91
aspartate	ME272653	1.07	1.01	0.92
leucine	ME272689	1.07	0.97	0.94
threonine	ME272724	1.08	0.97	0.92
proline	ME272706	1.13	0.96	0.88
valine	ME272731	1.10	0.98	0.90
uridine	ME272730	1.11	1.05	0.84
methionine	ME272696	1.06	1.06	0.89
riboflavin	ME272712	1.03	1.11	0.88
serine	ME272716	1.03	1.08	0.90
alpha-ketoisovalerate	ME272649	1.03	1.03	0.94
tyrosine	ME272727	1.00	1.04	0.98
2-hydroxyglutarate	ME272636	1.29	0.75	0.86
glutamine	ME272674	1.19	0.82	0.91
tryptophan	ME272726	1.22	0.82	0.87
guanosine	ME272678	1.18	0.92	0.87
lactose	ME272688	1.23	0.87	0.82
heptadecanoate	ME272679	0.91	0.98	1.12
4-hydroxybenzaldehyde	ME272639	1.06	0.88	1.02
alpha-ketoglutarate	ME272648	1.03	0.88	1.06
dihydroxybenzoic Acid	ME272664	1.01	0.92	1.05
arginine	ME272650	1.09	0.73	1.09
malonate	ME272695	1.12	0.66	1.12
fucose	ME272670	1.02	0.79	1.13
histidine	ME272680	1.07	0.80	1.07
levoglucosan	ME272690	1.12	0.78	1.02
1-3-7-trimethylurate	ME272633	0.31	2.17	0.90
caproic acid	ME272656	0.46	2.37	0.58
3-methyladipate-pimelate	ME272638	0.46	1.57	1.05
suberate	ME272719	0.57	1.83	0.87
sebacate	ME272715	0.44	1.92	0.96
adenine	ME272645	0.47	1.82	1.01
azelaic acid	ME272654	0.50	1.83	0.97
hydrocinnamic acid	ME272682	0.70	2.03	0.52
ethyl glucuronide	ME272668	0.92	1.81	0.83
4-methylcatechol	ME272640	0.85	1.77	0.57
caprylic acid	ME272657	0.94	1.72	0.53

Factors:

F1	Diagnosis:CD
F2	Diagnosis:Control
F3	Diagnosis:UC

Data matrix