Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001639)

(Analysis AN002681)

Metabolite	Structure	F1	F2	F3
dimethyl sulfone	ME386489	1.02	0.86	5.01
N,N-dimethyl-5-aminovalerate	ME386563	1.13	0.76	5.45
metformin	ME386549	1.36	0.56	2.92
benzoylcarnitine*	ME386459	1.03	0.93	2.42
5-hydroxymethyl-2-furoylcarnitine*	ME386438	1.02	0.91	2.61
AMP	ME386445	0.94	0.99	2.67
quinine	ME386619	2.10	0.26	1.50
N-acetylhistamine	ME386574	2.49	0.27	0.14
O-desmethyltramadol	ME386595	2.17	0.68	NA
pseudoephedrine	ME386615	1.85	0.03	0.01
tigloylglycine	ME386643	1.66	0.60	0.38
Benazeprilat	ME386458	1.57	0.54	NA
tramadol	ME386645	1.64	0.73	NA
hydroxyproline	ME386646	1.00	0.98	1.45
3-hydroxyhexanoylcarnitine (1)	ME386422	1.09	0.93	1.35
dimethylguanidino valeric acid (DMGV)*	ME386492	1.15	0.88	1.43
pipecolate	ME386609	1.10	0.92	1.44
3-hydroxystachydrine*	ME386424	0.82	1.10	1.63
(S)-3-hydroxybutyrylcarnitine	ME386400	1.00	0.98	1.67
S-methylcysteine sulfoxide	ME386627	1.02	0.97	1.60
N-acetylalliin	ME386568	0.78	1.17	0.60
2-piperidinone	ME386417	0.82	1.13	0.78
alliin	ME386448	0.86	1.10	0.85
tetramisole	ME386637	0.70	1.20	0.33
N-acetyl-1-methylhistidine*	ME386566	1.08	0.96	0.47
(2-butoxyethoxy)acetic acid	ME386398	0.96	1.04	0.43
4-acetamidophenol	ME386431	0.97	1.04	0.44
indoleacetoylcarnitine*	ME386535	1.19	0.88	0.73
1-methylurate	ME386406	1.23	0.85	0.74
N-acetylarginine	ME386569	1.21	0.86	0.76
N-acetylglutamate	ME386573	1.20	0.86	0.86
nicotine	ME386592	1.19	0.88	0.86
gamma-glutamylisoleucine*	ME386508	1.20	0.86	0.83
N-acetylglucosamine/N-acetylgalactosamine	ME386571	1.19	0.87	0.81
hydroxy-N6,N6,N6-trimethyllysine*	ME386529	1.27	0.81	0.83
cotinine N-oxide	ME386476	1.23	0.84	0.81
suberoylcarnitine (C8-DC)	ME386634	1.25	0.84	0.78
hydroxyasparagine	ME386530	1.18	0.88	0.94
glycerol 3-phosphate	ME386517	1.22	0.85	0.93
2-oxoarginine*	ME386416	1.20	0.87	0.92
N-acetyl-aspartyl-glutamate (NAAG)	ME386567	1.20	0.86	0.91
N-acetylputrescine	ME386577	1.22	0.85	0.91
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	ME386608	1.21	0.86	0.90
N-acetylneuraminate	ME386575	1.13	0.91	0.94
1-methylguanidine	ME386404	1.15	0.90	0.92
succinylcarnitine (C4-DC)	ME386635	1.14	0.90	0.93
1-methyladenosine	ME386580	1.16	0.89	0.98
N-acetylglucosaminylasparagine	ME386572	1.14	0.90	0.98
cotinine	ME386475	1.15	0.91	1.02
cyclo(gly-pro)	ME386478	1.14	0.90	1.04
dexpanthenol	ME386488	0.95	1.05	0.68
S-methylmethionine	ME386628	0.95	1.05	0.68
ectoine	ME386495	1.01	1.00	0.81
gamma-glutamylglutamate	ME386504	1.01	1.00	0.80
homostachydrine*	ME386528	1.01	1.00	0.78
nicotinate	ME386590	1.00	1.01	0.76
S-allylcysteine	ME386625	0.91	1.07	0.81
methylphosphate	ME386555	0.95	1.04	0.83
nicotinamide	ME386588	0.95	1.04	0.79
3-hydroxypyridine glucuronide	ME386423	1.12	0.91	0.64
imidazole propionate	ME386533	1.12	0.93	0.68
nicotinate ribonucleoside	ME386591	1.03	0.99	0.70
theophylline	ME386640	1.01	1.00	0.70
pyridoxal	ME386616	1.07	0.96	0.68
leucylalanine	ME386543	1.06	0.97	0.74
tryptophan betaine	ME386651	1.07	0.96	0.72
hydroxycotinine	ME386531	1.08	0.95	0.92
2-pyrrolidinone	ME386418	1.07	0.95	0.90
3-amino-2-piperidone	ME386420	1.08	0.95	0.88
1-methyl-5-imidazoleacetate	ME386403	1.07	0.96	0.85
valylleucine	ME386654	1.04	0.98	0.88
caffeine	ME386467	1.04	0.97	0.86
glutarylcarnitine (C5-DC)	ME386515	1.03	0.98	0.86
2-furoylcarnitine	ME386413	1.13	0.90	0.79
adipoylcarnitine (C6-DC)	ME386446	1.15	0.90	0.81
3-ureidopropionate	ME386430	1.14	0.91	0.85
2^-O-methylcytidine	ME386409	1.11	0.93	0.84
norcotinine	ME386594	1.11	0.93	0.86
N2-acetyl,N6,N6-dimethyllysine	ME386583	1.11	0.93	0.73
3-methylcytidine	ME386427	1.11	0.93	0.75
formiminoglutamate	ME386497	1.11	0.93	0.76
2-hydroxyglutarate	ME386414	1.09	0.94	0.79
N2-acetyl,N6-methyllysine	ME386584	1.07	0.96	0.79
3-aminoisobutyrate	ME386421	1.07	0.96	0.81
N6,N6,N6-trimethyllysine	ME386585	1.06	0.96	0.80
3-methylglutarylcarnitine (2)	ME386428	1.33	0.76	1.16
N1-methylinosine	ME386581	1.30	0.79	1.09
guanidinosuccinate	ME386524	1.20	0.85	1.05
S-carboxyethylcysteine	ME386626	1.23	0.84	1.05
argininate*	ME386452	1.18	0.87	1.13
levulinoylcarnitine	ME386546	1.18	0.87	1.11
phenylacetylglutamine	ME386599	1.19	0.87	1.09
trigonelline (N^-methylnicotinate)	ME386648	1.17	0.88	1.09
2,3-dihydroxypyridine	ME386410	1.22	0.84	1.22
methylsuccinoylcarnitine	ME386556	1.12	0.91	1.20
1-ribosyl-imidazoleacetate*	ME386408	1.16	0.88	1.16
isobutyrylcarnitine (C4)	ME386537	1.16	0.88	1.20
stachydrine	ME386633	0.93	1.05	1.04
imidazole lactate	ME386532	1.07	0.95	1.02
N-acetylproline	ME386576	1.07	0.95	1.05
quinolinate	ME386620	1.09	0.93	1.06
5-hydroxylysine	ME386437	1.04	0.97	1.02
cysteinylglycine disulfide*	ME386484	1.03	0.98	1.01
phosphate	ME386604	1.03	0.98	1.02
3-methoxytyrosine	ME386425	0.99	1.01	1.06
phosphocholine	ME386473	0.99	1.00	1.06
methionine sulfoxide	ME386553	0.99	1.01	1.04
proline	ME386612	0.98	1.01	1.05
N-methylpipecolate	ME386578	1.01	0.99	1.03
arginine	ME386453	1.00	1.00	1.05
carnitine	ME386470	1.00	1.00	1.05
taurine	ME386636	1.01	0.99	1.06
gamma-glutamylthreonine	ME386511	1.01	0.99	1.04
alanine	ME386447	1.01	0.99	1.05
cys-gly, oxidized	ME386479	1.01	0.99	1.05
7-methylxanthine	ME386441	1.04	0.97	1.04
cysteine	ME386481	1.02	0.98	1.05
isovalerylcarnitine (C5)	ME386539	1.03	0.98	1.05
phosphoethanolamine (PE)	ME386605	1.01	0.99	1.08
5-methylthioadenosine (MTA)	ME386439	1.03	0.97	1.07
carboxyethyl-GABA	ME386469	1.02	0.98	1.07
homoarginine	ME386527	0.98	1.02	0.89
N-methylproline	ME386579	0.95	1.04	0.93
theobromine	ME386639	0.95	1.04	0.91
dimethylarginine (ADMA + SDMA)	ME386490	1.09	0.94	0.97
phenylalanylglycine	ME386602	1.08	0.94	0.98
N6,N6-dimethyllysine	ME386586	1.04	0.97	0.93
gamma-glutamylhistidine	ME386507	1.06	0.96	0.95
4-imidazoleacetate	ME386435	1.05	0.97	0.97
iminodiacetate (IDA)	ME386534	1.04	0.97	0.96
glycerophosphorylcholine (GPC)	ME386520	0.98	1.02	1.00
gamma-glutamyltryptophan	ME386512	0.99	1.01	1.00
beta-alanine	ME386461	0.98	1.01	1.00
deoxycarnitine	ME386487	0.98	1.01	1.01
phenylalanylalanine	ME386601	0.98	1.02	0.98
methyl indole-3-acetate	ME386554	0.97	1.02	0.99
(R)-3-hydroxybutyrylcarnitine	ME386399	0.97	1.02	0.99
sarcosine	ME386629	1.01	0.99	1.00
fructosyllysine	ME386498	1.01	0.99	1.00
gamma-glutamylglutamine	ME386505	1.01	0.99	1.00
glutamine	ME386514	1.01	0.99	1.01
lysine	ME386547	1.01	0.99	1.01
creatinine	ME386477	1.01	1.00	0.99
valine	ME386653	1.00	1.00	0.99
phenylalanine	ME386600	1.00	1.00	0.99
isoleucine	ME386538	1.00	1.00	0.99
leucine	ME386542	1.00	1.00	0.99
serine	ME386630	1.01	1.00	0.98
methionine	ME386551	1.00	1.00	0.98
thioproline	ME386641	1.00	1.00	0.98
asparagine	ME386455	1.01	0.99	0.97
2-aminoheptanoate	ME386412	1.00	1.00	0.96
choline	ME386472	1.00	1.00	0.97
dimethylglycine	ME386491	1.00	1.00	0.97
N6-methyllysine	ME386587	1.01	1.00	0.94
gamma-glutamylcitrulline*	ME386503	1.00	1.00	0.93
glycine	ME386521	1.00	1.00	0.94
glycerophosphoethanolamine	ME386518	1.00	1.00	0.95
citrulline	ME386474	1.00	1.00	0.95
gamma-glutamylmethionine	ME386510	1.00	1.00	0.95
aspartate	ME386456	1.01	0.99	0.95
cystathionine	ME386480	1.01	1.00	0.95
gamma-glutamyl-alpha-lysine	ME386501	1.03	0.98	0.94
leucylglycine	ME386544	1.03	0.99	0.93
gamma-glutamylglycine	ME386506	1.01	0.99	0.93
EDTA	ME386496	1.02	0.99	0.94
N,N-dimethylalanine	ME386564	1.02	0.99	0.94
gamma-glutamylleucine	ME386509	1.02	0.99	0.93
glycylleucine	ME386522	1.02	0.99	0.93
glutamate	ME386513	1.01	1.00	0.89
betaine	ME386464	1.02	0.99	0.88
picolinate	ME386606	1.02	0.99	0.89
pyroglutamine*	ME386618	1.03	0.98	0.91
ornithine	ME386597	1.01	0.99	0.91
trimethylamine N-oxide	ME386649	1.01	0.99	0.91
1-methyl-4-imidazoleacetate	ME386402	1.08	0.94	1.22
indolin-2-one	ME386536	1.05	0.96	1.23
cystine	ME386485	0.98	1.00	1.25
histidine betaine (hercynine)*	ME386526	0.97	1.01	1.25
methionine sulfone	ME386552	1.03	0.97	1.29
prolylglycine	ME386613	1.00	0.99	1.29
butyrylcarnitine (C4)	ME386466	0.99	0.99	1.29
N,N,N-trimethyl-5-aminovalerate	ME386562	0.99	0.99	1.30
gamma-glutamylalanine	ME386502	1.05	0.96	1.13
urea	ME386652	1.05	0.96	1.13
cytosine	ME386486	1.06	0.96	1.10
propionylcarnitine (C3)	ME386614	1.04	0.97	1.10
serotonin	ME386631	1.03	0.98	1.10
prolylhydroxyproline	ME386611	1.12	0.91	1.12
3-(cystein-S-yl)acetaminophen*	ME386419	1.09	0.95	1.12
4-hydroxyglutamate	ME386433	1.08	0.93	1.16
tiglyl carnitine (C5)	ME386644	1.09	0.93	1.14
beta-guanidinopropanoate	ME386462	0.98	1.01	1.20
adenine	ME386444	1.01	0.99	1.21
spermidine	ME386632	1.00	0.99	1.19
phenylacetylcarnitine	ME386598	1.02	0.98	1.16
2-methylbutyrylcarnitine (C5)	ME386415	1.00	1.00	1.14
anthranilate	ME386451	1.01	0.99	1.14
cysteinylglycine	ME386483	1.01	0.99	1.15
3-phosphoglycerate	ME386429	0.99	1.00	1.12
threonine	ME386642	1.00	1.00	1.10
2-aminobutyrate	ME386411	0.99	1.01	1.10
acetylcarnitine (C2)	ME386443	0.99	1.01	1.09
cysteine-glutathione disulfide	ME386482	0.99	1.01	1.09
gamma-glutamyl-2-aminobutyrate	ME386500	0.96	1.02	1.16
hexanoylcarnitine (C6)	ME386525	0.97	1.02	1.13
S-1-pyrroline-5-carboxylate	ME386624	0.97	1.02	1.12
4-hydroxyphenylacetatoylcarnitine	ME386434	1.50	0.63	1.06
1-methylnicotinamide	ME386405	1.34	0.78	0.49
zolpidem	ME386655	1.29	0.89	0.69
3-methylcrotonylglycine	ME386426	1.28	0.83	0.57
picolinoylglycine	ME386607	1.25	0.84	0.60
lanthionine	ME386541	1.45	0.69	0.58
(S)-a-amino-omega-caprolactam	ME386401	1.52	0.65	0.65
5-methylthioribose	ME386440	1.48	0.67	0.84
N-acetylasparagine	ME386570	1.53	0.67	0.78
8-methoxykynurenate	ME386442	1.37	0.73	0.91
5-(galactosylhydroxy)-L-lysine	ME386436	1.38	0.74	0.81
1-methylxanthine	ME386407	1.36	0.74	0.86
kynurenate	ME386540	1.37	0.75	0.85
N(^1)-acetylspermidine	ME386561	1.38	0.74	0.75
beta-hydroxyisovaleroylcarnitine	ME386463	1.39	0.74	0.74
N2,N2-dimethylguanosine	ME386582	1.39	0.74	0.75
4-guanidinobutanoate	ME386432	1.30	0.80	0.78
gamma-carboxyglutamate	ME386499	1.33	0.77	0.77
doxylamine	ME386494	1.23	0.86	NA
ranitidine N-oxide*	ME386622	0.95	1.11	0.03
triamterene	ME386647	1.04	0.97	NA
theanine	ME386638	0.96	1.03	NA
anserine	ME386450	1.00	1.01	NA
trizma acetate	ME386650	1.00	1.00	NA
pyridoxine (Vitamin B6)	ME386617	1.00	1.00	NA
carbamazepine 10,11-epoxide*	ME386468	1.00	1.00	NA
metronidazole	ME386559	1.00	1.00	NA
metoprolol acid metabolite*	ME386558	0.90	1.08	0.20
betonicine	ME386465	1.13	0.93	0.29
alpha-hydroxymetoprolol	ME386449	1.07	0.96	0.18
metoprolol	ME386557	1.03	1.01	0.22
glutathione, oxidized (GSSG)	ME386516	0.34	1.45	0.47
atenolol	ME386457	0.66	1.26	NA
norbenzoylecgonine*	ME386593	0.61	1.13	NA
benzoylecgonine	ME386460	0.37	1.36	0.16
doxycycline	ME386493	0.52	1.48	NA
ranitidine	ME386621	0.63	1.47	0.01

Factors:

F1	COPD:case
F2	COPD:control
F3	COPD:NA

Data matrix