Metabolomics Workbench : NIH Data Repository

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

HILIC POSITIVE ION MODE (Analysis AN001878)

Metabolite	Structure	F1	F2	F3
C16:0 SM	ME272553	0.75	0.20	1.63
triethanolamine	ME272622	0.86	0.58	1.46
C2 carnitine	ME272561	1.88	0.28	0.37
histamine	ME272583	1.97	0.36	0.32
N-acetylputrescine	ME272599	1.73	0.17	0.74
2-hydroxyphenethylamine	ME272529	1.78	0.26	0.66
linoleoyl ethanolamide	ME272591	1.71	0.29	0.70
C18:2 carnitine	ME272560	1.62	0.28	0.42
C16 carnitine	ME272551	1.62	0.26	0.60
C18:1 carnitine	ME272557	1.66	0.36	0.52
C4 carnitine	ME272566	1.42	0.08	0.72
betaine	ME272547	1.41	0.23	1.08
creatine	ME272572	1.54	0.10	1.01
C18:1 LPC	ME272558	1.16	0.39	1.21
taurine	ME272617	1.24	0.35	1.21
ADMA	ME272539	1.36	0.36	1.06
C18:0 LPC	ME272556	1.27	0.34	1.12
hydroxyproline	ME272584	1.29	0.38	1.12
C16:1 LPC plasmalogen	ME272554	1.01	0.44	1.09
C18:1 LPC plasmalogen	ME272559	0.99	0.32	1.11
C3-DC-CH3 carnitine	ME272565	1.01	0.37	1.11
piperine	ME272609	1.00	0.69	1.23
trimethyllysine	ME272625	1.15	0.49	1.20
anserine	ME272542	1.07	0.60	1.21
dimethyllysine	ME272578	1.07	0.55	1.25
ornithine	ME272604	1.05	0.53	1.30
C14 carnitine	ME272550	1.35	0.58	0.45
trigonelline	ME272623	1.49	0.76	0.60
bilirubin	ME272548	1.36	0.49	0.97
asparagine	ME272544	1.31	0.46	0.98
methylpyridonecarboxamide	ME272595	1.32	0.49	0.98
putrescine	ME272612	1.46	0.41	0.88
diacetylspermine	ME272576	1.47	0.46	0.85
creatinine	ME272573	1.42	0.47	0.88
imidazole propionate	ME272586	1.45	0.51	0.86
phytosphingosine	ME272607	1.49	0.57	0.74
threosphingosine	ME272621	1.45	0.65	0.74
beta-alanine	ME272546	1.56	0.50	0.77
carnitine	ME272568	1.61	0.43	0.71
glutamine	ME272581	1.15	0.71	1.04
pyroglutamic acid	ME272614	1.16	0.70	1.04
1-methylnicotinamide	ME272527	1.35	0.79	0.68
thiamine	ME272619	1.33	0.77	0.79
3-methylxanthine	ME272531	1.19	0.77	0.89
ADMA/SDMA	ME272540	1.29	0.68	0.90
C18 carnitine	ME272555	1.31	0.67	0.86
atenolol	ME272545	1.29	1.65	0.25
C20:4 carnitine	ME272563	0.70	1.28	1.07
N-acetylhistidine	ME272597	0.80	1.20	1.08
5alpha-Cholestanol	ME272535	0.58	1.16	1.15
didanosine	ME272577	0.70	1.00	1.19
arginine	ME272543	0.93	0.89	1.16
kynurenic acid	ME272589	0.89	0.94	1.17
NMMA	ME272603	0.97	0.81	1.18
3-methylhistidine	ME272530	0.90	0.83	1.24
C36:2 PC	ME272564	0.92	0.77	1.24
butyrobetaine	ME272549	1.12	0.84	0.98
valine	ME272631	1.08	0.89	0.99
C16:0 LPE	ME272552	1.02	0.87	1.07
choline	ME272570	1.03	0.90	1.04
carnosine	ME272569	0.97	0.93	1.06
serine	ME272615	1.00	0.97	1.02
threonine	ME272620	1.02	0.94	1.02
lysine	ME272592	0.91	1.02	1.09
C20 carnitine	ME272562	0.88	1.03	1.12
citrulline	ME272571	0.88	1.06	1.10
tyrosine	ME272628	0.91	1.12	1.02
phenylalanine	ME272606	0.98	1.03	1.00
alanine	ME272541	0.97	1.10	0.97
leucine	ME272590	0.98	1.09	0.96
8-hydroxy-deoxyguanosine	ME272537	1.13	1.06	0.81
proline	ME272610	1.04	1.06	0.91
7-methylguanine	ME272536	1.11	1.01	0.86
tryptophan	ME272626	1.09	0.97	0.91
4-guanidinobutanoic acid	ME272532	1.21	0.99	0.76
sphinganine	ME272616	1.20	1.11	0.69
N-methylproline	ME272602	1.24	1.25	0.56
N-acetylspermidine	ME272600	1.13	1.22	0.69
1-methylguanine	ME272526	1.05	1.26	0.72
tthyl hexadecenoate	ME272627	1.07	1.26	0.72
pantothenate	ME272605	0.96	1.49	0.69
proline betaine	ME272611	0.99	1.53	0.64
cytosine	ME272574	0.87	1.37	0.85
hypoxanthine	ME272585	0.90	1.34	0.86
methionine sulfoxide	ME272594	0.92	1.33	0.85
inosine	ME272587	1.00	1.21	0.85
caffeine	ME272567	0.93	1.27	0.88
glutamate	ME272580	0.94	1.18	0.94
isoleucine	ME272588	0.96	1.22	0.88
5-acetylamino-6-amino-3-methyluracil	ME272534	0.91	1.22	0.91
methionine	ME272593	0.94	1.21	0.91
N-acetyl-L-arginine	ME272598	0.86	1.50	0.79
nicotinic acid	ME272601	0.85	1.52	0.79
4-hydroxy-3-methylacetophenone	ME272533	0.76	1.48	0.91
deoxyinosine	ME272575	0.75	1.47	0.94
geranyl acetoacetate	ME272579	0.80	1.50	0.86
urocanic acid	ME272630	0.81	1.45	0.89
pipecolic acid	ME272608	0.73	1.43	1.00
trimethylbenzene	ME272624	0.80	1.38	0.96
2-deoxyadenosine	ME272528	0.26	1.64	1.34
urobilin	ME272629	0.16	2.03	0.68
N-Acetylglutamic acid	ME272596	0.60	1.91	0.79
pyridoxamine	ME272613	0.69	1.78	0.78
acetylcholine	ME272538	0.49	1.81	0.99
Harman	ME272582	0.61	1.57	0.95
tetrahydro-beta-carboline-carboxylic acid	ME272618	0.61	1.69	0.92

Factors:

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

Data matrix