Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002498)

(Analysis AN004654)

Metabolite	Structure	F1	F2
doxylamine	ME740156	1.15	0.09
X-25952	ME740314	1.00	NA
minocyclin	ME740220	1.00	NA
3-hydroxycarbamazepine	ME740193	1.00	NA
10,11-dihydro-10-hydroxycarbamazepine	ME740195	1.00	NA
2-hydroxycarbamazepine	ME740194	1.00	NA
quinine	ME740145	0.82	1.29
X-25810	ME740309	0.82	1.21
nicotinamide N-oxide	ME740139	0.81	1.24
3-methoxytyrosine	ME740043	0.79	1.24
hydroxybupropion	ME740081	0.78	1.24
trimethoprim	ME740219	0.86	1.18
tamsulosin	ME740221	0.88	1.19
X-12753	ME740244	0.87	1.19
N-acetyltheanine	ME740212	0.85	1.16
X-24812	ME740291	0.89	1.13
X-26008	ME740316	0.87	1.14
5-hydroxymethyl-2-furoylcarnitine*	ME740223	0.88	1.15
X-23587	ME740260	0.87	1.15
ketopioglitazone	ME740161	0.87	1.04
levulinoylcarnitine	ME740225	0.90	1.11
S-methylmethionine	ME740127	0.91	1.11
spermine	ME740004	0.93	1.10
X-12283	ME740240	0.92	1.08
indoleacetoylcarnitine*	ME740210	0.92	1.09
nicotinamide	ME739997	0.92	1.09
X-26097	ME740317	1.02	0.98
X-24811	ME740290	1.02	0.98
X-24473	ME740282	1.02	0.98
X-24456	ME740279	1.02	0.98
X-24431	ME740278	1.02	0.98
X-23659	ME740268	1.02	0.98
X-16580	ME740252	1.02	0.98
tryptophan betaine	ME740116	1.02	0.98
trimethylamine N-oxide	ME740148	1.02	0.98
phosphoethanolamine	ME740026	1.02	0.98
lanthionine	ME740154	1.02	0.98
hydroxy-N6,N6,N6-trimethyllysine*	ME740224	1.02	0.98
5-(galactosylhydroxy)-lysine	ME740130	1.02	0.98
3-hydroxypyridine glucuronide	ME740215	1.02	0.98
1-methylnicotinamide	ME739971	1.02	0.98
2-aminoheptanoate	ME740168	1.02	0.98
X-25855	ME740311	1.02	0.97
X-25109	ME740294	1.02	0.97
X-24736	ME740287	1.02	0.97
gamma-glutamyl-epsilon-lysine	ME740075	1.02	0.97
ofloxacin	ME740057	1.02	0.97
X-25790	ME740308	1.03	0.97
X-25265	ME740297	1.03	0.97
X-24764	ME740288	1.03	0.97
X-17346	ME740255	1.03	0.97
(N(1) + N(8))-acetylspermidine	ME740196	1.03	0.97
7-methylxanthine	ME740089	1.03	0.97
gamma-carboxyglutamate	ME740134	1.03	0.97
(S)-a-amino-omega-caprolactam	ME740226	1.04	0.96
3-phosphoglycerate	ME739972	1.04	0.96
N6-carboxymethyllysine	ME740117	1.04	0.96
X-16397	ME740251	1.03	0.96
N-methylhydroxyproline**	ME740201	1.03	0.96
ectoine	ME740113	1.03	0.96
N-acetylproline	ME740086	1.03	0.96
3-(cystein-S-yl)acetaminophen*	ME740118	1.04	0.94
X-25948	ME740312	1.04	0.95
X-24475	ME740284	1.04	0.95
X-23655	ME740267	1.04	0.95
N-methylpipecolate	ME740171	1.04	0.95
ergothioneine	ME740126	1.04	0.95
beta-guanidinopropanoate	ME740094	1.04	0.95
alliin	ME740151	1.04	0.95
1-methylurate	ME740090	1.04	0.95
2-pyrrolidinone	ME740068	1.04	0.95
X-23581	ME740258	1.05	0.95
4-guanidinobutanoate	ME740049	1.05	0.95
N6,N6-dimethyllysine	ME740209	1.05	0.95
X-24243	ME740273	1.05	0.94
X-23997	ME740272	1.05	0.94
X-23644	ME740264	1.05	0.94
X-13507	ME740246	1.05	0.94
X-12680	ME740242	1.05	0.94
adenosine 5^-monophosphate (AMP)	ME739978	1.05	0.94
X-12112	ME740234	1.05	0.94
X-17306	ME740254	1.08	0.94
suberoylcarnitine (C8-DC)	ME740182	1.08	0.92
2-piperidinone	ME740163	1.07	0.91
X-25423	ME740305	1.07	0.92
X-12101	ME740233	1.07	0.92
N6-methyllysine	ME740149	1.07	0.92
N,N-dimethyl-5-aminovalerate	ME740218	1.07	0.92
X-24462	ME740281	1.06	0.92
4-acetamidobutanoate	ME740029	1.06	0.94
X-25520	ME740307	1.06	0.93
stachydrine	ME740080	1.06	0.93
spermidine	ME739970	1.06	0.93
1-methylguanidine	ME740058	1.06	0.93
methylurea	ME740091	1.06	0.93
X-23665	ME740269	1.00	1.00
X-23654	ME740266	1.00	1.00
X-23639	ME740263	1.00	1.00
X-23593	ME740261	1.00	1.00
X-15666	ME740250	1.00	1.00
X-12689	ME740243	1.00	1.00
tryptophan	ME740010	1.00	1.00
threonine	ME740009	1.00	1.00
serotonin	ME740003	1.00	1.00
serine	ME740002	1.00	1.00
(R)-3-hydroxybutyrylcarnitine	ME740155	1.00	1.00
proline	ME740001	1.00	1.00
pregabalin	ME740183	1.00	1.00
pioglitazone	ME740085	1.00	1.00
N-carbamoylalanine	ME740174	1.00	1.00
N-acetyl-isoputreanine	ME740211	1.00	1.00
N-acetylglucosamine/N-acetylgalactosamine	ME740179	1.00	1.00
malonylcarnitine	ME740104	1.00	1.00
lamivudine	ME740222	1.00	1.00
homoarginine	ME740064	1.00	1.00
glutarylcarnitine (C5-DC)	ME740109	1.00	1.00
glutamine	ME740008	1.00	1.00
gamma-glutamylcitrulline*	ME740204	1.00	1.00
gamma-glutamylalanine	ME740120	1.00	1.00
fructosyllysine	ME740170	1.00	1.00
dimethylarginine (SDMA + ADMA)	ME740119	1.00	1.00
cysteine s-sulfate	ME740061	1.00	1.00
cysteine-glutathione disulfide	ME740097	1.00	1.00
cysteine	ME740013	1.00	1.00
cys-gly, oxidized	ME740037	1.00	1.00
cyclo(gly-pro)	ME740121	1.00	1.00
citrulline	ME739993	1.00	1.00
choline	ME740040	1.00	1.00
cephalexin	ME740191	1.00	1.00
carboxyethyl-GABA	ME740147	1.00	1.00
caffeine	ME740019	1.00	1.00
asparagine	ME740021	1.00	1.00
argininate*	ME740140	1.00	1.00
7-methylurate	ME740128	1.00	1.00
4-hydroxyphenylacetoylcarnitine	ME740181	1.00	1.00
3-methylcytidine	ME740100	1.00	1.00
3-aminoisobutyrate	ME740030	1.00	1.00
3-amino-2-piperidone	ME740207	1.00	1.00
2-oxoarginine*	ME740141	1.00	1.00
1-methyl-4-imidazoleacetate	ME740074	1.00	1.00
2-aminobutyrate	ME740031	1.00	1.00
X-12462	ME740241	1.00	1.01
N,N-dimethylalanine	ME740208	1.00	1.01
gamma-glutamylglycine	ME740079	1.00	1.01
deoxycarnitine	ME740114	1.00	1.01
gamma-glutamylglutamine	ME740032	1.00	1.01
X-24699: ret for 64571	ME740285	1.00	0.99
X-23648	ME740265	1.00	0.99
taurine	ME740005	1.00	0.99
trigonelline (N^-methylnicotinate)	ME740069	1.00	0.99
X-25419	ME740302	1.01	0.99
X-24474	ME740283	1.01	0.99
X-23739	ME740270	1.01	0.99
X-23636	ME740262	1.01	0.99
X-22162	ME740257	1.01	0.99
X-12798	ME740245	1.01	0.99
X-12117	ME740235	1.01	0.99
theobromine	ME740055	1.01	0.99
picolinate	ME740023	1.01	0.99
phenylacetylglutamine	ME740096	1.01	0.99
N-acetylneuraminate	ME740033	1.01	0.99
N-acetyl-aspartyl-glutamate (NAAG)	ME740111	1.01	0.99
N6,N6,N6-trimethyllysine	ME739976	1.01	0.99
iminodiacetate (IDA)	ME740063	1.01	0.99
homostachydrine*	ME740108	1.01	0.99
guanidinoacetate	ME739991	1.01	0.99
gamma-glutamyl-2-aminobutyrate	ME740102	1.01	0.99
dimethylglycine	ME740014	1.01	0.99
choline phosphate	ME739984	1.01	0.99
betaine	ME740012	1.01	0.99
atenolol	ME740137	1.01	0.99
acetoacetate	ME740035	1.01	0.99
1-methylxanthine	ME740092	1.01	0.99
3-hydroxyhexanoylcarnitine (1)	ME740217	1.01	0.99
X-24728	ME740286	1.01	0.98
sarcosine	ME740024	1.01	0.98
(S)-3-hydroxybutyrylcarnitine	ME740186	1.01	0.98
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	ME740188	1.01	0.98
N,N,N-trimethyl-alanylproline betaine (TMAP)	ME740202	1.01	0.98
ornithine	ME739998	1.01	0.98
benzoylecgonine	ME740144	0.96	1.01
xanthurenate	ME740046	0.99	1.01
X-25957	ME740315	0.99	1.01
X-25343	ME740300	0.99	1.01
X-24801	ME740289	0.99	1.01
X-24425	ME740277	0.99	1.01
X-15461	ME740249	0.99	1.01
X-12100	ME740232	0.99	1.01
urea	ME740006	0.99	1.01
tyrosine	ME740016	0.99	1.01
thioproline	ME740184	0.99	1.01
succinylcarnitine (C4-DC)	ME740122	0.99	1.01
S-methylcysteine sulfoxide	ME740143	0.99	1.01
quinolinate	ME739975	0.99	1.01
phenylalanine	ME739999	0.99	1.01
N-acetylputrescine	ME739977	0.99	1.01
N-acetylglucosaminylasparagine	ME740034	0.99	1.01
N2,N2-dimethylguanosine	ME740095	0.99	1.01
lysine	ME739995	0.99	1.01
leucylglycine	ME740146	0.99	1.01
isoleucine	ME739992	0.99	1.01
hydroxyasparagine**	ME740199	0.99	1.01
glycine	ME739990	0.99	1.01
glycerol 3-phosphate	ME740050	0.99	1.01
gamma-glutamylthreonine	ME740083	0.99	1.01
gamma-glutamylhistidine	ME740038	0.99	1.01
gamma-glutamylglutamate	ME739989	0.99	1.01
gamma-glutamyl-alpha-lysine	ME740190	0.99	1.01
formiminoglutamate	ME740132	0.99	1.01
cysteinylglycine disulfide*	ME740131	0.99	1.01
cysteinylglycine	ME739986	0.99	1.01
cysteine sulfinic acid	ME740125	0.99	1.01
creatinine	ME739985	0.99	1.01
butyrylcarnitine (C4)	ME740066	0.99	1.01
aspartate	ME739981	0.99	1.01
arginine	ME739980	0.99	1.01
anthranilate	ME740041	0.99	1.01
alanine	ME740015	0.99	1.01
7-methylguanine	ME740099	0.99	1.01
5-methylthioadenosine (MTA)	ME739979	0.99	1.01
5,6-dihydrothymine	ME739973	0.99	1.01
3-hydroxybutyroylglycine**	ME740200	0.99	1.01
2-amino-4-cyanobutanoate	ME740107	0.99	1.01
2-hydroxyglutarate	ME740124	0.99	1.01
X-25422	ME740304	0.99	1.02
X-24410	ME740274	0.99	1.02
X-12127	ME740238	0.99	1.02
tiglylcarnitine (C5:1-DC)	ME740110	0.99	1.02
phosphate	ME740000	0.99	1.02
N1-methylinosine	ME740093	0.99	1.02
methionine	ME739996	0.99	1.02
leucine	ME739994	0.99	1.02
gamma-glutamylvaline	ME740070	0.99	1.02
gamma-glutamylphenylalanine	ME740056	0.99	1.02
carnitine	ME740045	0.99	1.02
gamma-glutamylisoleucine*	ME740101	0.99	1.02
norcotinine	ME740135	0.97	1.02
X-25828	ME740310	0.98	1.02
X-25267	ME740298	0.98	1.02
X-25172	ME740295	0.98	1.02
X-24411	ME740275	0.98	1.02
X-21283	ME740256	0.98	1.02
X-14056	ME740248	0.98	1.02
trans-4-hydroxyproline	ME740022	0.98	1.02
N-alpha-acetylornithine	ME740054	0.98	1.02
N-acetylisoleucine	ME740077	0.98	1.02
N1-methyladenosine	ME740039	0.98	1.02
methionine sulfone	ME740169	0.98	1.02
kynurenine	ME740052	0.98	1.02
isovalerylcarnitine (C5)	ME740088	0.98	1.02
indolin-2-one	ME740165	0.98	1.02
glycerophosphorylcholine (GPC)	ME740053	0.98	1.02
glycerophosphoethanolamine	ME740112	0.98	1.02
glutamate	ME740007	0.98	1.02
gamma-glutamylmethionine	ME740082	0.98	1.02
gamma-glutamylleucine	ME740042	0.98	1.02
cytosine	ME740020	0.98	1.02
cytidine	ME740017	0.98	1.02
creatine	ME740036	0.98	1.02
beta-alanine	ME739982	0.98	1.02
acetylcarnitine (C2)	ME740060	0.98	1.02
3-methylglutarylcarnitine (2)	ME740172	0.98	1.02
3-hydroxyoctanoylcarnitine (1)	ME740228	0.98	1.02
3-hydroxyindolin-2-one	ME740153	0.98	1.02
2^-O-methylcytidine	ME740189	0.98	1.02
1-ribosyl-imidazoleacetate*	ME740115	0.98	1.02
2-furoylcarnitine	ME740197	0.98	1.02
X-13684	ME740247	0.98	1.03
S-allylcysteine	ME740167	0.98	1.03
S-1-pyrroline-5-carboxylate	ME739969	0.98	1.03
propionylcarnitine (C3)	ME740071	0.98	1.03
methionine sulfoxide	ME740047	0.98	1.03
imidazole lactate	ME740051	0.98	1.03
4-hydroxyglutamate	ME740133	0.98	1.03
3-hydroxyoctanoylcarnitine (2)	ME740229	0.98	1.03
2,3-dihydroxypyridine	ME740062	0.98	1.03
3-formylindole	ME740203	0.98	1.03
X-23780	ME740271	0.94	1.07
pipecolate	ME740025	0.94	1.07
phenylacetylcarnitine	ME740173	0.94	1.07
N-acetylhistidine	ME740078	0.94	1.07
N-acetyl-1-methylhistidine*	ME740164	0.94	1.07
5-hydroxylysine	ME740048	0.94	1.07
hexanoylcarnitine (C6)	ME740059	0.94	1.07
2-methylbutyrylcarnitine (C5)	ME740103	0.95	1.07
4-imidazoleacetate	ME740073	0.95	1.06
X-17301	ME740253	0.95	1.03
X-25420	ME740303	0.97	1.04
X-25417	ME740301	0.97	1.04
pro-hydroxy-pro	ME740072	0.97	1.04
nicotinurate (nicotinoylglycine)	ME740098	0.97	1.04
N-acetylglycine	ME740065	0.97	1.04
2-methylserine	ME740185	0.97	1.04
cystathionine	ME739988	0.97	1.04
N,N,N-trimethyl-5-aminovalerate	ME740192	0.97	1.03
cystine	ME739987	0.97	1.03
methylsuccinoylcarnitine	ME740187	0.97	1.03
cotinine	ME740018	0.95	1.04
X-25519	ME740306	0.96	1.04
X-11795	ME740230	0.96	1.04
imidazole propionate	ME740150	0.96	1.04
S-carboxyethylcysteine	ME740227	0.96	1.04
X-12126	ME740237	0.95	1.05
X-24422	ME740276	0.96	1.05
X-23583	ME740259	0.96	1.05
prolylglycine	ME740152	0.96	1.05
isobutyrylcarnitine (C4)	ME740067	0.96	1.05
N-acetylarginine	ME740076	0.96	1.05
zolpidem	ME740160	1.12	0.81
methyl indole-3-acetate	ME740028	1.18	0.81
3-ureidopropionate	ME740027	1.17	0.80
adipoylcarnitine (C6-DC)	ME740180	1.16	0.81
X-25217	ME740296	1.09	0.89
X-25271	ME740299	1.09	0.89
hypoxanthine	ME739974	1.08	0.90
N2-acetyl,N6-methyllysine	ME740214	1.09	0.90
metformin	ME740129	1.10	0.93
X-12096	ME740231	1.10	0.91
3-hydroxystachydrine*	ME740198	1.14	0.84
X-24457	ME740280	1.14	0.84
N-methylproline	ME740123	1.12	0.86
N2-acetyl,N6,N6-dimethyllysine	ME740213	1.13	0.85
X-24970	ME740292	1.13	0.85
hydroxycotinine	ME740136	1.13	0.89
1-methyl-5-imidazoleacetate	ME740142	1.11	0.87
glutamine conjugate of C6H10O2 (1)*	ME740205	1.11	0.87
X-24973	ME740293	1.47	0.43
triamterene	ME740157	1.30	0.76
8-methoxykynurenate	ME740206	1.29	0.66
O-desmethylvenlafaxine	ME740159	1.31	0.69
metoprolol acid metabolite*	ME740087	1.29	0.71
X-12199	ME740239	1.29	0.70
X-25951	ME740313	1.21	0.68
alpha-hydroxymetoprolol	ME740178	1.22	0.74
X-12125	ME740236	1.22	0.78
tramadol	ME740175	NA	1.00
topiramate	ME740044	NA	1.00
O-desmethyltramadol glucuronide	ME740177	NA	1.00
cimetidine	ME740158	NA	1.00
O-desmethyltramadol	ME740176	NA	1.00
nicotinate	ME740011	0.05	2.07
ranitidine N-oxide*	ME740216	0.35	1.81
lidocaine	ME740105	0.51	1.90
ranitidine	ME740138	0.47	1.80
dimethyl sulfone	ME740162	0.67	1.39
N-ethylglycinexylidide	ME740106	0.71	1.44
nicotinate ribonucleoside	ME740084	0.39	1.56
carnosine	ME739983	0.52	1.49
meglumine	ME740166	0.44	1.37

Factors:

F1	Diagnosis:0
F2	Diagnosis:1

Data matrix