Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Changes to gut microbiota metabolism based on Clostridium difficile-induced inflammation (Study ST001650)

GC UNSPECIFIED ION MODE (Analysis AN002696)

Metabolite	Structure	F1	F2	F3
levoglucosan	ME388478	2.97	0.15	0.27
xylitol	ME388380	3.19	0.15	0.10
arabitol	ME388556	3.33	0.05	0.09
lyxitol	ME388473	3.32	0.05	0.09
pentitol	ME388434	2.62	0.44	0.26
beta-glycerolphosphate	ME388547	2.08	0.54	0.59
succinic acid	ME388404	2.27	0.62	0.37
1-kestose	ME388596	0.03	0.02	2.76
galactinol	ME388522	0.09	0.12	2.61
hydrocinnamic acid	ME388498	1.23	0.32	1.49
3-(4-hydroxyphenyl)propionic acid	ME388579	0.94	0.29	1.75
alanine	ME388562	1.12	0.19	1.72
sucrose	ME388403	0.26	0.94	1.65
allantoic acid	ME388560	0.36	0.34	2.17
fructose	ME388524	0.31	0.40	2.15
beta-gentiobiose	ME388549	0.26	0.20	2.39
maltitol	ME388468	0.36	0.23	2.28
maltose	ME388467	0.26	0.29	2.30
glutamine	ME388514	0.60	0.63	1.69
mannose	ME388462	0.45	0.65	1.79
2-aminobutyric acid	ME388588	0.34	0.56	1.97
3-phenyllactic acid	ME388573	0.37	0.52	1.99
maltotriose	ME388465	0.51	0.46	1.93
melibiose	ME388461	0.49	0.42	1.98
1,5-anhydroglucitol	ME388597	0.48	0.56	1.86
digalacturonic acid	ME388530	0.59	0.47	1.86
trehalose	ME388393	0.58	0.53	1.81
maltotriitol	ME388466	0.55	0.51	1.85
tagatose	ME388402	0.52	0.53	1.85
oleic acid	ME388444	1.32	1.60	0.15
2-hydroxyglutaric acid	ME388584	1.14	1.79	0.10
ethanol phosphate NIST	ME388526	1.02	1.68	0.31
orotic acid	ME388442	1.58	1.32	0.21
malic acid	ME388470	1.91	1.03	0.24
N-acetylaspartic acid	ME388450	1.77	1.19	0.19
phenylacetic acid	ME388431	0.34	1.50	1.03
uridine	ME388385	0.79	1.47	0.70
xanthine	ME388381	0.61	1.66	0.65
2-hydroxyvaleric acid	ME388582	0.76	1.57	0.62
phosphate	ME388428	0.72	1.64	0.59
2,6-diaminopimelic acid	ME388589	0.62	1.41	0.89
phenylalanine	ME388430	0.64	1.51	0.78
methionine	ME388459	0.58	1.53	0.81
sorbitol	ME388407	0.60	1.50	0.82
4-hydroxybutyric acid	ME388571	0.43	1.70	0.76
pseudo-uridine	ME388420	0.46	1.59	0.84
4-hydroxyphenylacetic acid	ME388570	0.33	1.83	0.71
indole-3-acetate	ME388495	0.15	1.94	0.74
inositol-4-monophosphate	ME388490	0.78	1.91	0.27
hypoxanthine	ME388496	0.57	2.04	0.30
phenylethylamine	ME388429	0.47	2.10	0.32
beta-glutamic acid	ME388548	0.56	1.91	0.44
uracil	ME388388	0.52	1.97	0.41
guanine	ME388505	0.44	1.94	0.51
thymine	ME388398	0.52	1.86	0.52
putrescine	ME388418	1.07	0.68	1.26
threonic acid	ME388401	1.11	0.58	1.33
cis-gondoic acid	ME388541	0.51	1.15	1.24
quinic acid	ME388415	0.49	1.18	1.23
UDP-glucuronic acid	ME388389	0.83	0.66	1.48
pyruvic acid	ME388416	0.66	0.72	1.55
UDP GlcNAc	ME388390	0.69	0.70	1.55
2-monoolein	ME388581	0.74	0.74	1.47
lactitol	ME388481	0.72	0.79	1.43
lactic acid	ME388482	0.71	0.83	1.41
uric acid	ME388386	0.69	0.84	1.41
1-methyladenosine	ME388595	0.54	0.90	1.47
glycolic acid	ME388507	0.66	0.87	1.40
1-monoolein	ME388593	0.66	0.89	1.38
isocitric acid	ME388489	0.66	0.91	1.36
cholesterol	ME388542	0.61	0.91	1.41
glycerol-alpha-phosphate	ME388509	0.61	0.95	1.36
palmitic acid	ME388439	0.73	1.01	1.20
stearic acid	ME388406	0.74	1.01	1.20
heptadecanoic acid	ME388503	0.67	1.03	1.24
p-tolyl glucuronide	ME388419	0.70	0.99	1.25
indole-3-propionic acid	ME388493	0.80	0.91	1.25
glycerol	ME388511	0.78	0.93	1.25
myristic acid	ME388451	0.79	0.93	1.24
guanosine	ME388504	0.79	0.95	1.22
tryptophan	ME388392	0.78	0.94	1.23
nonadecanoic acid	ME388445	0.72	0.94	1.29
stigmasterol	ME388405	0.74	0.96	1.25
methanolphosphate	ME388460	0.74	0.95	1.26
propane-1,3-diol NIST	ME388421	0.75	0.94	1.26
aminomalonate	ME388558	0.70	0.91	1.33
ornithine	ME388443	0.69	0.93	1.32
methylmalonic acid	ME388456	0.76	0.86	1.33
dihydrocholesterol	ME388528	0.73	0.91	1.31
valine	ME388383	0.75	0.89	1.31
isothreonic acid	ME388484	0.91	0.71	1.36
pyrophosphate	ME388417	0.93	0.71	1.34
linolenic acid	ME388475	0.93	0.84	1.22
phenol	ME388432	0.92	0.80	1.26
glycine	ME388508	0.83	0.82	1.31
saccharic acid	ME388411	0.84	0.83	1.29
creatinine	ME388536	0.81	0.82	1.33
gluconic acid lactone	ME388518	0.83	0.80	1.34
hydroxycarbamate NIST	ME388497	0.87	0.85	1.26
cellobiose	ME388544	0.82	0.85	1.29
shikimic acid	ME388409	0.82	0.87	1.27
asparagine	ME388553	1.11	0.99	0.92
adenosine	ME388564	1.12	0.97	0.94
capric acid	ME388545	1.12	0.96	0.94
1-monostearin	ME388592	1.16	0.88	1.00
enolpyruvate NIST	ME388527	1.08	0.86	1.07
2,3-dihydroxybutanoic acid NIST	ME388591	0.96	0.89	1.15
galactonic acid	ME388521	0.95	0.89	1.14
glyceric acid	ME388512	1.00	0.90	1.09
glucose-1-phosphate	ME388516	1.00	0.93	1.07
mannitol	ME388464	0.99	0.93	1.07
tocopherol alpha-	ME388396	0.97	0.99	1.04
vanillic acid	ME388382	0.97	0.98	1.04
dehydroabietic acid	ME388532	0.96	0.97	1.06
inosine	ME388491	0.97	0.95	1.08
tocopherol gamma-	ME388395	0.97	0.95	1.07
sinapinic acid	ME388408	0.92	1.05	1.01
serine	ME388410	0.92	1.08	0.99
3,6-anhydro-D-glucose	ME388576	0.89	1.08	1.01
5,6-dihydrouracil	ME388569	0.90	1.07	1.00
cysteine	ME388535	0.93	1.02	1.03
lyxose	ME388472	0.96	1.04	0.99
adenine	ME388565	0.90	1.15	0.92
1-methylinosine NIST	ME388594	0.97	1.10	0.92
myo-inositol	ME388452	0.94	1.11	0.94
thymidine	ME388399	0.95	1.13	0.92
lignoceric acid	ME388477	0.83	1.12	1.01
5-methoxytryptamine	ME388567	0.87	1.08	1.02
monomyristin	ME388455	0.86	1.08	1.03
3-aminoisobutyric acid	ME388575	0.88	1.04	1.06
2^-deoxyguanosine	ME388586	0.85	1.06	1.07
methyl O-D-galactopyranoside	ME388457	0.85	1.07	1.05
2-hydroxyhexanoic acid	ME388583	0.81	1.07	1.08
n-acetyl-d-hexosamine	ME388449	0.81	1.07	1.08
gluconic acid	ME388519	0.82	1.05	1.09
linoleic acid	ME388476	0.80	1.06	1.10
histidine	ME388500	0.78	1.10	1.08
hexuronic acid	ME388501	0.80	1.11	1.05
citramalic acid	ME388540	0.82	1.09	1.06
urea	ME388387	0.83	1.09	1.05
3,6-anhydro-D-galactose	ME388577	0.85	1.02	1.10
montanic acid	ME388454	0.87	1.02	1.08
isoheptadecanoic acid NIST	ME388488	0.88	1.01	1.09
tocopherol acetate	ME388397	0.87	1.01	1.10
D-erythro-sphingosine	ME388531	0.81	0.98	1.17
beta-sitosterol	ME388546	0.81	1.00	1.14
phytol	ME388425	0.82	0.99	1.15
ketohexose	ME388483	0.86	0.98	1.13
threonine	ME388400	0.88	0.94	1.16
glucose	ME388517	0.86	0.95	1.16
palmitoleic acid	ME388438	0.87	0.95	1.15
glycyl-proline	ME388506	0.74	1.12	1.09
lysine	ME388474	0.72	1.13	1.09
cerotinic acid	ME388543	0.68	1.14	1.12
methionine sulfoxide	ME388458	0.70	1.12	1.12
isoleucine	ME388487	0.74	1.08	1.13
arachidonic acid	ME388554	0.70	1.08	1.16
indoxyl sulfate	ME388492	0.73	1.07	1.15
leucine	ME388479	0.72	1.06	1.16
p-hydroxylphenyllactic acid	ME388426	0.67	1.08	1.19
tyrosine	ME388391	0.65	1.12	1.16
xylose	ME388379	0.60	1.31	1.01
proline	ME388422	0.83	1.23	0.91
2-deoxytetronic acid	ME388585	0.77	1.19	0.99
arachidic acid	ME388555	0.78	1.20	0.97
behenic acid	ME388551	0.71	1.20	1.03
3-hydroxybutyric acid	ME388574	0.72	1.23	0.99
trans-4-hydroxyproline	ME388394	0.71	1.26	0.97
N-acetylmannosamine	ME388448	1.37	0.68	1.02
phosphoethanolamine	ME388427	1.29	0.92	0.85
quinolinic acid	ME388414	1.32	0.90	0.84
ribonic acid	ME388413	1.48	0.95	0.66
N-carbamoylaspartate	ME388447	1.41	0.90	0.77
lauric acid	ME388480	1.53	0.83	0.75
mucic acid	ME388453	1.51	0.87	0.72
fumaric acid	ME388523	1.36	1.21	0.50
isopentadecanoic acid	ME388486	1.08	1.35	0.58
oxoproline	ME388440	1.02	1.36	0.62
ferulic acid	ME388525	1.12	1.29	0.62
conduritol-beta-epoxide	ME388537	1.19	1.28	0.57
pentonic acid	ME388433	1.17	1.32	0.54
homocystine	ME388499	1.06	1.49	0.46
aspartic acid	ME388552	1.08	1.44	0.50
nicotinic acid	ME388446	1.08	1.43	0.51
mannonic acid NIST	ME388463	0.98	1.46	0.56
parabanic acid NIST	ME388436	0.93	1.53	0.52
galacturonic acid	ME388520	0.94	1.34	0.71
isothreitol	ME388485	0.96	1.35	0.69
malonic acid	ME388469	0.92	1.30	0.76
pimelic acid	ME388424	0.91	1.31	0.77
arabinose	ME388557	0.88	1.31	0.79
hexadecylglycerol NIST	ME388502	0.90	1.29	0.79
daidzein	ME388533	1.03	1.23	0.75
maleimide	ME388471	1.02	1.21	0.78
2-deoxyerythritol	ME388587	1.07	1.16	0.78
1,2-anhydro-myo-inositol NIST	ME388598	1.04	1.19	0.78
3 hydroxy-3-methylglutaric acid	ME388580	1.04	1.17	0.80
3,4-dihydroxycinnamic acid	ME388578	1.05	1.27	0.69
citric acid	ME388539	1.09	1.21	0.72
diglycerol	ME388529	1.08	1.19	0.74
pinitol	ME388423	1.12	1.24	0.67
2,5-dihydroxypyrazine NIST	ME388590	1.12	1.22	0.69
citrulline	ME388538	1.10	1.23	0.70
glutaric acid	ME388513	1.23	1.19	0.62
urocanic acid	ME388384	1.14	1.12	0.77
5-aminovaleric acid	ME388568	1.16	1.15	0.72
glutamic acid	ME388515	1.19	1.16	0.68
adipic acid	ME388563	1.05	1.11	0.85
glycerol-3-galactoside	ME388510	1.03	1.11	0.86
alpha-aminoadipic acid	ME388559	1.12	1.07	0.83
cystine	ME388534	1.08	1.09	0.84
aconitic acid	ME388566	0.99	1.15	0.86
ribose	ME388412	0.97	1.15	0.87
pantothenic acid	ME388437	0.95	1.20	0.84
beta-alanine	ME388550	0.99	1.19	0.83
oxalic acid	ME388441	0.97	1.19	0.84
pentadecanoic acid	ME388435	0.98	1.18	0.84
4-hydroxybenzoate	ME388572	0.88	1.25	0.85
alanine-alanine	ME388561	0.92	1.22	0.84
indole-3-lactate	ME388494	0.95	1.23	0.81

Factors:

F1	Colonization:Ctrl
F2	Colonization:Tox-
F3	Colonization:WT

Data matrix