Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003520)

(Analysis AN005778)

Metabolite	Structure	F1	F2	F3
4-acetamidophenol	ME916169	2.31	1.06	0.60
X-12462	ME916314	0.58	2.16	0.34
N-ethylglycinexylidide	ME916223	1.07	1.20	0.35
X-25172	ME916347	0.66	1.53	0.74
iminodiacetate (IDA)	ME916186	0.95	1.59	0.63
sarcosine	ME916149	0.99	1.66	0.57
X-25265	ME916348	1.78	0.86	0.91
X-23665	ME916333	1.23	1.22	0.79
glutamine_degradant*	ME916224	1.12	1.18	0.86
(R)-3-hydroxybutyrylcarnitine	ME916260	1.11	1.19	0.82
N-acetylasparagine	ME916203	1.26	1.04	0.76
X-25519	ME916355	1.37	1.06	0.88
"glutamate, gamma-methyl ester"	ME916195	1.12	0.85	1.08
fructosyllysine	ME916268	1.12	1.02	0.96
X-24475	ME916341	1.19	0.93	1.00
cysteine sulfinic acid	ME916240	1.48	0.83	0.99
lidocaine	ME916222	1.28	0.69	1.18
cytidine	ME916142	1.28	0.78	1.06
cysteine s-sulfate	ME916185	1.30	0.84	1.04
X-25343	ME916351	1.28	0.84	1.04
inosine	ME916113	0.12	0.18	1.44
serotonin	ME916128	0.06	0.35	1.41
adenosine 5^-diphosphate (ADP)	ME916098	0.35	0.19	1.09
inosine 5^-monophosphate (IMP)	ME916114	0.15	0.28	1.17
anthranilate	ME916166	0.89	0.75	1.17
glycerophosphorylcholine (GPC)	ME916179	0.92	0.69	1.22
N-acetylneuraminate	ME916159	0.89	0.68	1.23
glutamine conjugate of C7H12O2*	ME916290	0.62	0.75	1.35
N-acetyl-aspartyl-glutamate (NAAG)	ME916229	0.53	0.79	1.23
X-24241	ME916336	0.61	0.86	1.25
glycerophosphoethanolamine	ME916230	0.60	0.60	1.36
3-methoxytyrosine	ME916168	0.53	0.63	1.34
nicotinamide	ME916121	0.52	0.58	1.38
X-12680	ME916315	0.75	0.70	1.23
quinolinate	ME916095	0.73	0.62	1.30
choline phosphate	ME916105	0.66	0.63	1.32
spermidine	ME916090	0.68	0.64	1.31
theobromine	ME916181	0.02	0.96	1.19
X-23644	ME916330	0.12	0.74	1.36
7-methylxanthine	ME916213	0.15	0.82	1.19
caffeine	ME916144	0.06	0.76	1.21
aspartate	ME916102	0.27	0.72	1.35
X-25422	ME916354	0.36	0.78	1.28
phosphoethanolamine	ME916151	0.36	0.41	1.53
taurine	ME916129	0.31	0.62	1.40
3-phosphoglycerate	ME916093	0.39	0.56	1.42
adenosine 5^-monophosphate (AMP)	ME916099	0.34	0.52	1.46
ondansetron	ME916281	0.73	1.76	1.19
cotinine	ME916143	0.03	1.49	0.70
ranitidine	ME916246	NA	1.27	0.95
ranitidine N-oxide*	ME916299	NA	1.38	0.94
alliin	ME916257	0.38	1.48	0.72
N-acetylcarnosine	ME916261	0.38	1.52	0.80
isovalerylcarnitine (C5)	ME916212	0.25	1.42	0.91
X-25267	ME916349	0.25	1.39	0.90
3-methylhistidine	ME916173	0.26	1.50	0.85
X-24243	ME916337	0.32	1.47	0.84
trigonelline (N^-methylnicotinate)	ME916194	0.20	1.49	0.81
X-23780	ME916335	0.20	1.46	0.88
homoarginine	ME916187	0.50	1.40	0.86
ectoine	ME916231	0.37	1.34	0.91
S-allylcysteine	ME916265	0.35	1.38	0.83
gamma-glutamylmethionine	ME916209	0.35	1.41	0.89
X-23587	ME916326	0.40	1.39	0.88
carnosine	ME916104	0.45	1.71	0.68
S-1-pyrroline-5-carboxylate	ME916089	0.27	1.67	0.72
1-methylnicotinamide	ME916091	0.69	1.37	0.83
trans-urocanate	ME916131	0.70	1.33	0.86
methionine	ME916120	0.76	1.22	0.91
arginine	ME916101	0.74	1.25	0.90
adipoylcarnitine (C6-DC)	ME916275	0.76	1.26	0.89
"N,N,N-trimethyl-alanylproline betaine (TMAP)"	ME916287	0.77	1.25	0.89
lysine	ME916119	0.77	1.17	0.94
X-23636	ME916328	0.80	1.21	0.91
pyridoxal	ME916126	0.96	1.04	0.99
gamma-glutamylglycine	ME916207	0.92	1.04	0.99
N-acetylglycine	ME916189	0.91	1.02	1.01
N-methylpipecolate	ME916269	0.90	1.13	0.94
X-14056	ME916319	0.92	1.11	0.95
X-16580	ME916323	0.85	1.16	0.93
N6-methyllysine	ME916255	0.89	1.16	0.93
S-methylcysteine sulfoxide	ME916251	0.89	1.18	0.91
(N(1) + N(8))-acetylspermidine	ME916283	0.97	1.15	0.91
X-12101	ME916312	1.02	1.12	0.92
3-hydroxybutyroylglycine**	ME916286	1.00	1.09	0.94
glutamine	ME916133	1.01	1.07	0.95
hydroxyasparagine**	ME916285	0.72	1.17	0.95
imidazole propionate	ME916256	0.73	1.15	0.97
dimethylarginine (SDMA + ADMA)	ME916236	0.74	1.12	0.98
N-acetyl-isoputreanine	ME916296	0.72	1.13	0.98
acetylcarnitine (C2)	ME916184	0.67	1.10	1.01
3-aminoisobutyrate	ME916156	0.68	1.12	1.00
X-25810	ME916358	0.66	1.12	1.00
4-acetamidobutanoate	ME916155	0.70	1.09	1.01
7-methylguanine	ME916218	0.72	1.07	1.02
"N6,N6-dimethyllysine"	ME916295	0.73	1.07	1.02
"5,6-dihydrothymine"	ME916094	0.73	1.08	1.01
glycine	ME916111	0.74	1.09	1.01
homocitrulline	ME916188	0.73	1.02	1.05
X-25957	ME916360	0.76	1.07	1.07
X-11787	ME916308	0.82	1.02	1.03
X-11795	ME916309	0.80	1.06	1.01
glycerol 3-phosphate	ME916176	0.79	1.05	1.03
X-25420	ME916353	0.78	1.04	1.02
stachydrine	ME916208	0.84	1.07	0.99
guanidinoacetate	ME916112	0.78	1.12	0.98
methionine sulfoxide	ME916172	0.80	1.09	0.99
cysteinylglycine	ME916108	0.71	0.93	1.12
2^-O-methylcytidine	ME916279	0.75	0.95	1.08
3-ureidopropionate	ME916152	0.79	0.94	1.08
X-12096	ME916310	0.79	0.96	1.07
adenine	ME916145	0.82	0.85	1.14
N-acetylglucosamine/N-acetylgalactosamine	ME916274	0.92	0.88	1.10
X-12798	ME916316	0.28	1.07	1.12
lanthionine	ME916259	0.20	1.02	1.11
isobutyrylcarnitine (C4)	ME916192	0.22	1.08	1.13
gamma-glutamylcitrulline*	ME916289	0.23	1.05	1.15
tryptophan betaine	ME916234	0.24	1.02	1.15
N-acetyltryptophan	ME916201	0.11	1.07	1.05
pyrraline	ME916235	0.11	1.10	0.99
X-12112	ME916313	0.11	1.16	1.10
formiminoglutamate	ME916244	0.16	1.21	1.03
theophylline	ME916180	0.16	1.15	1.05
X-23583	ME916325	0.22	1.21	0.94
xanthurenate	ME916171	0.21	1.26	0.87
argininate*	ME916248	0.16	1.26	0.98
propionylcarnitine (C3)	ME916197	0.17	1.27	1.02
2-oxoarginine*	ME916249	0.18	1.36	0.96
phenylacetylcarnitine	ME916271	0.25	1.31	0.91
N-acetylarginine	ME916204	0.22	1.30	0.99
oxindolylalanine	ME916307	0.20	1.30	0.98
tiglylcarnitine (C5:1-DC)	ME916228	0.23	1.28	0.95
1-methyl-5-imidazoleacetate	ME916250	0.23	1.31	0.95
S-carboxyethylcysteine	ME916302	0.22	1.32	0.94
kynurenate	ME916092	0.33	1.23	1.01
2-methylbutyrylcarnitine (C5)	ME916221	0.34	1.25	0.99
cystathionine	ME916109	0.35	1.23	0.99
X-23654	ME916331	0.33	1.33	0.95
beta-hydroxyisovaleroylcarnitine	ME916227	0.30	1.31	0.97
N-acetylphenylalanine	ME916202	0.31	1.28	0.98
prolylglycine	ME916258	0.32	1.28	0.98
"N2-acetyl,N6-methyllysine"	ME916298	0.38	1.29	0.95
gamma-glutamyl-alpha-lysine	ME916280	0.43	1.28	0.95
gamma-glutamylthreonine	ME916210	0.43	1.26	0.97
gamma-glutamylvaline	ME916196	0.41	1.26	0.97
gamma-glutamylisoleucine*	ME916220	0.39	1.27	0.97
succinylcarnitine (C4-DC)	ME916238	0.40	1.27	0.98
deoxycarnitine	ME916232	0.39	1.23	0.99
N-methylproline	ME916239	0.39	1.25	0.98
leucine	ME916118	0.45	1.22	0.99
N-acetylputrescine	ME916097	0.43	1.21	1.00
2-aminobutyrate	ME916157	0.43	1.22	0.99
5-methylthioadenosine (MTA)	ME916100	0.43	1.21	0.99
X-24812	ME916345	0.39	1.16	1.00
X-23639	ME916329	0.38	1.19	1.02
dimethylglycine	ME916139	0.37	1.20	1.02
pipecolate	ME916150	0.38	1.20	1.02
4-hydroxyglutamate	ME916245	0.42	1.19	1.01
gamma-glutamylhistidine	ME916163	0.41	1.19	1.01
"N2,N2-dimethylguanosine"	ME916215	0.40	1.20	1.01
X-13507	ME916317	0.41	1.20	1.00
"N2-acetyl,N6,N6-dimethyllysine"	ME916297	0.35	1.19	1.03
2-pyrrolidinone	ME916193	0.35	1.17	1.04
gamma-glutamyltyrosine	ME916154	0.35	1.18	1.04
trimethylamine N-oxide	ME916254	0.40	1.14	1.05
X-23659	ME916332	0.42	1.15	1.05
1-ribosyl-imidazoleacetate*	ME916233	0.34	1.14	1.06
X-15461	ME916320	0.34	1.13	1.05
carboxyethyl-GABA	ME916253	0.38	1.11	1.07
X-26097	ME916362	0.36	1.10	1.08
choline	ME916165	0.30	1.20	1.03
4-guanidinobutanoate	ME916175	0.26	1.19	1.04
gamma-glutamylglutamate	ME916110	0.26	1.19	1.03
histidine betaine (hercynine)*	ME916262	0.31	1.05	1.04
cortisone	ME916106	0.24	1.11	1.08
ergothioneine	ME916241	0.26	1.12	1.03
N-acetyl-2-aminoadipate	ME916303	0.29	1.11	1.03
X-15503	ME916321	0.40	0.90	1.19
3-hydroxystachydrine*	ME916284	0.33	0.90	1.24
ornithine	ME916122	0.36	0.89	1.22
3-hydroxyoctanoylcarnitine (1)	ME916304	0.33	0.94	1.20
3-methylglutarylcarnitine (2)	ME916270	0.29	0.97	1.18
homostachydrine*	ME916225	0.31	1.01	1.15
3-amino-2-piperidone	ME916291	0.40	0.98	1.15
1-methyl-4-imidazoleacetate	ME916200	0.36	0.98	1.17
"N,N,N-trimethyl-5-aminovalerate"	ME916282	0.35	0.97	1.17
3-hydroxyoctanoylcarnitine (2)	ME916305	0.36	1.01	1.14
urea	ME916130	0.37	0.99	1.15
"N,N-dimethylalanine"	ME916292	0.37	1.06	1.10
4-imidazoleacetate	ME916199	0.42	1.08	1.03
X-24456	ME916339	0.44	1.03	1.05
X-25948	ME916359	0.42	1.01	1.06
N-acetylproline	ME916211	0.42	1.02	1.11
cysteine-glutathione disulfide	ME916217	0.47	1.05	1.10
X-24518	ME916342	0.44	1.05	1.07
N-acetylhistidine	ME916206	0.43	1.05	1.09
X-25271	ME916350	0.42	1.05	1.09
butyrylcarnitine (C4)	ME916191	0.44	1.07	1.08
N4-acetylcytidine	ME916216	0.43	1.07	1.09
creatine	ME916161	0.46	0.97	1.15
glutamate	ME916132	0.54	0.90	1.17
pro-hydroxy-pro	ME916198	0.63	1.20	0.96
threonine	ME916134	0.65	1.20	0.95
gamma-glutamylleucine	ME916167	0.61	1.17	0.98
"N,N-dimethyl-pro-pro"	ME916306	0.63	1.18	0.97
imidazole lactate	ME916177	0.64	1.17	0.97
alanine	ME916140	0.63	1.17	0.97
methionine sulfone	ME916267	0.63	1.17	0.97
thioproline	ME916276	0.65	1.25	0.92
gamma-glutamylalanine	ME916237	0.65	1.20	0.92
X-24970	ME916346	0.65	1.22	0.92
X-13684	ME916318	0.53	1.22	0.93
glutarylcarnitine (C5-DC)	ME916226	0.58	1.25	0.94
X-25419	ME916352	0.57	1.24	0.93
creatinine	ME916107	0.56	1.28	0.92
X-25520	ME916356	0.57	1.29	0.90
3-methylcytidine	ME916219	0.53	1.31	0.88
1-methylhistidine	ME916190	0.47	1.33	0.91
3-formylindole	ME916288	0.48	1.30	0.93
asparagine	ME916146	0.48	1.23	0.97
"N6,N6,N6-trimethyllysine"	ME916096	0.49	1.24	0.97
beta-alanine	ME916103	0.46	1.24	0.97
N-acetylleucine	ME916153	0.47	1.25	0.96
isoleucine	ME916115	0.48	1.18	1.00
N1-methyladenosine	ME916164	0.49	1.20	0.99
trans-4-hydroxyproline	ME916147	0.50	1.19	0.99
5-hydroxylysine	ME916174	0.55	1.17	1.00
tryptophan	ME916135	0.54	1.17	1.00
ethyl beta-glucopyranoside	ME916293	0.54	1.18	0.97
indolin-2-one	ME916264	0.54	1.18	0.98
valine	ME916136	0.52	1.18	0.99
X-23739	ME916334	0.52	1.20	0.98
gamma-glutamylphenylalanine	ME916182	0.59	1.15	1.00
X-25790	ME916357	0.59	1.14	1.00
cysteinylglycine disulfide*	ME916243	0.61	1.15	1.00
serine	ME916127	0.60	1.15	0.99
6-bromotryptophan	ME916294	0.56	1.14	1.01
X-26058	ME916361	0.55	1.13	1.01
5-(galactosylhydroxy)-lysine	ME916242	0.58	1.11	1.02
phenylalanine	ME916123	0.56	1.11	1.03
N1-methylinosine	ME916214	0.51	1.07	1.07
X-22162	ME916324	0.52	1.08	1.06
X-24422	ME916338	0.53	1.08	1.06
picolinate	ME916148	0.50	1.09	1.00
"hydroxy-N6,N6,N6-trimethyllysine*"	ME916301	0.47	1.16	1.02
X-23593	ME916327	0.49	1.15	1.03
3-hydroxyhexanoylcarnitine (1)	ME916300	0.49	1.12	1.04
N-acetylisoleucine	ME916205	0.51	1.13	1.03
proline	ME916125	0.51	1.12	1.03
cysteine	ME916138	0.51	1.11	1.04
citrulline	ME916117	0.53	1.11	1.04
kynurenine	ME916178	0.52	1.12	1.04
X-24473	ME916340	0.52	1.13	0.99
tyrosine	ME916141	0.53	1.15	1.01
X-24728	ME916343	0.52	1.14	1.02
X-12100	ME916311	0.54	0.99	1.11
X-24736	ME916344	0.53	0.99	1.11
C-glycosyltryptophan	ME916273	0.56	1.03	1.09
dimethyl sulfone	ME916263	0.60	1.00	1.09
X-16397	ME916322	0.60	1.02	1.10
leucylglycine	ME916252	0.66	1.01	1.08
"cys-gly, oxidized"	ME916162	0.57	1.07	1.06
N-acetylglucosaminylasparagine	ME916160	0.57	1.06	1.06
2-aminoheptanoate	ME916266	0.59	1.09	1.03
phosphate	ME916124	0.60	1.08	1.04
(S)-3-hydroxybutyrylcarnitine	ME916278	0.60	1.07	1.05
2-aminoadipate	ME916116	0.65	1.06	1.04
2-methylserine	ME916277	0.66	1.06	1.04
gamma-glutamylglutamine	ME916158	0.64	1.06	1.05
hexanoylcarnitine (C6)	ME916183	0.63	1.07	1.04
betaine	ME916137	0.61	1.11	1.02
carnitine	ME916170	0.63	1.09	1.03

Factors:

F1	Sample source:EDTA plasma \| Group:Crohn's Disease
F2	Sample source:EDTA plasma \| Group:Healthy_Control
F3	Sample source:EDTA plasma \| Group:JIA

Data matrix