Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003673)

(Analysis AN006031)

Metabolite	Structure	F1	F2
cefazolin	ME959078	1.00	NA
indoleacetoylcarnitine*	ME959088	1.06	0.20
isocaproylcarnitine	ME959081	1.70	0.65
butyrylcarnitine (C4)	ME958979	1.65	0.31
hexanoylcarnitine (C6)	ME958972	1.63	0.33
iminodiacetate (IDA)	ME958975	1.81	0.13
hypoxanthine	ME958879	1.73	0.21
sarcosine	ME958936	1.73	0.22
3-phosphoglycerate	ME958878	0.55	1.84
serotonin	ME958911	0.43	1.61
adenosine 5^-monophosphate (AMP)	ME958882	0.66	1.49
cystathionine	ME958893	0.58	1.49
kynurenine	ME958964	0.57	1.46
leucylhydroxyproline*	ME959093	0.57	1.46
histamine	ME958897	0.46	1.47
carnosine	ME958888	0.52	1.51
cysteine sulfinic acid	ME959034	0.50	1.46
nicotinate ribonucleoside	ME959002	0.52	1.48
4-hydroxybutyrate (GHB)	ME959016	1.06	0.53
adenine	ME958930	1.07	0.49
ophthalmate	ME958999	1.20	0.65
1-methyl-5-imidazolelactate	ME959096	1.29	0.66
N-methyl-GABA	ME959054	1.29	0.69
beta-guanidinopropanoate	ME959006	1.29	0.69
beta-hydroxyisovaleroylcarnitine	ME959021	1.29	0.69
gamma-glutamylglutamate	ME958894	1.28	0.70
3-ureidopropionate	ME958940	1.27	0.71
thiamin monophosphate	ME958914	1.27	0.71
N-acetyl-isoputreanine	ME959089	1.26	0.79
dimethylglycine	ME958925	1.25	0.73
anserine	ME958958	1.26	0.72
N-acetyl-3-methylhistidine*	ME959038	1.25	0.72
aspartate	ME958886	1.23	0.76
cytidine	ME958928	1.22	0.76
formiminoglutamate	ME959044	1.23	0.75
1-ribosyl-imidazoleacetate*	ME959027	1.24	0.75
deoxycarnitine	ME959026	1.24	0.74
N6,N6-dimethyllysine	ME959087	1.19	0.90
choline	ME958951	1.20	0.79
N-methylalanine	ME959030	1.21	0.78
2-aminobutyrate	ME958942	1.17	0.81
cysteine-glutathione disulfide	ME959010	1.18	0.81
2-methylserine	ME959075	1.19	0.80
phosphoethanolamine	ME958938	1.19	0.80
ornithine	ME958905	1.18	0.80
phenylalanine	ME958907	1.18	0.80
N,N,N-trimethyl-5-aminovalerate	ME959079	1.33	0.65
pimelate/3-methyladipate	ME959050	1.35	0.63
1-methyl-5-imidazoleacetate	ME959051	1.34	0.63
4-guanidinobutanoate	ME958960	1.34	0.64
glutamate	ME958916	1.34	0.64
spermine	ME958912	1.37	0.63
1-methylnicotinamide	ME958877	1.37	0.61
phenylacetylglycine	ME958993	1.37	0.60
glycerol 3-phosphate	ME958962	1.44	0.53
acetylcarnitine (C2)	ME958973	1.41	0.56
N-acetylglucosaminylasparagine	ME958946	1.41	0.56
3-hydroxyhexanoylcarnitine (1)	ME959091	1.41	0.59
N,N,N-trimethyl-alanylproline betaine (TMAP)	ME959083	1.42	0.58
isobutyrylcarnitine (C4)	ME958980	1.59	0.45
propionylcarnitine (C3)	ME958987	1.52	0.44
choline phosphate	ME958890	1.51	0.46
(R)-3-hydroxybutyrylcarnitine	ME959061	1.51	0.45
isovalerylcarnitine (C5)	ME959004	1.49	0.51
(S)-3-hydroxybutyrylcarnitine	ME959076	1.47	0.49
isocitrate	ME958945	0.79	1.15
N-alpha-acetylornithine	ME958966	0.82	1.14
isoleucylhydroxyproline*	ME959094	0.86	1.18
dimethyl sulfone	ME959064	0.86	1.15
6-acetylglucose	ME959095	0.84	1.16
nicotinamide riboside	ME958998	0.85	1.16
methionine	ME958903	0.85	1.16
acetoacetate	ME958947	0.85	1.16
alanine	ME958926	0.85	1.16
gamma-glutamylcysteine	ME958939	0.80	1.20
2-hydroxyquinoline	ME959041	0.81	1.20
2-pyrrolidinone	ME958981	0.81	1.21
histidine betaine (hercynine)*	ME959063	0.84	1.20
thioproline	ME959074	0.82	1.19
glycerophosphorylcholine (GPC)	ME958965	0.84	1.18
4-imidazoleacetate	ME958989	0.83	1.18
glutathione, oxidized (GSSG)	ME958906	0.83	1.18
cis-4-hydroxyproline	ME958968	0.73	1.27
S-methylmethionine	ME959037	0.73	1.23
cyclo(leu-pro)	ME959032	0.75	1.19
gamma-glutamylalanine	ME959031	0.77	1.20
nicotinamide	ME958904	0.79	1.23
1-methyl-4-imidazoleacetate	ME958990	0.79	1.23
cysteine	ME958924	0.79	1.23
pro-hydroxy-pro	ME958988	0.76	1.25
picolinate	ME958935	0.77	1.24
trans-4-hydroxyproline	ME958933	0.77	1.25
5-aminovalerate	ME958967	0.61	1.26
gamma-glutamyl-epsilon-lysine	ME958991	0.68	1.23
xanthine	ME958934	0.67	1.33
malonylcarnitine	ME959018	0.69	1.31
argininosuccinate	ME958885	0.70	1.30
homostachydrine*	ME959020	0.71	1.31
indolin-2-one	ME959067	0.66	1.37
2-oxindole-3-acetate	ME959053	0.62	1.38
cytosine	ME958931	0.63	1.40
spermidine	ME958876	0.97	1.03
N-acetylproline	ME959003	0.97	1.03
dimethylarginine (SDMA + ADMA)	ME959029	0.97	1.03
gamma-glutamylisoleucine*	ME959014	0.97	1.03
serine	ME958910	0.98	1.02
prolylglycine	ME959060	0.98	1.02
N-acetylputrescine	ME958881	0.98	1.02
methionine sulfone	ME959069	0.98	1.02
4-acetamidobutanoate	ME958941	0.98	1.02
cystine	ME958892	0.98	1.02
S-1-pyrroline-5-carboxylate	ME958875	0.98	1.03
threonine	ME958918	0.98	1.03
xanthurenate	ME958956	0.96	1.05
N2,N2-dimethylguanosine	ME959007	0.97	1.04
trimethylamine N-oxide	ME959057	0.96	1.04
N-acetylglycine	ME958978	0.96	1.04
methionine sulfoxide	ME958957	0.96	1.04
gamma-glutamylleucine	ME958953	0.96	1.04
3-methoxytyrosine	ME958954	0.96	1.04
citrulline	ME958900	0.96	1.04
gamma-glutamylhistidine	ME958949	0.94	1.06
thiamin (vitamin B1)	ME958929	0.94	1.06
oxindolylalanine	ME959099	0.95	1.05
N1-methyl-4-pyridone-3-carboxamide	ME959013	0.95	1.05
3-methylcrotonylglycine	ME958985	0.95	1.05
asparagine	ME958932	0.95	1.05
arginine	ME958884	0.95	1.06
N-glycolylneuraminate	ME959015	0.95	1.06
N4-acetylcytidine	ME959008	1.03	0.97
7-methylguanine	ME959011	1.03	0.97
glutamine_degradant*	ME959019	1.03	0.97
gamma-glutamyltryptophan	ME958996	1.03	0.96
mevalonolactone	ME958971	1.03	0.96
pyridoxamine	ME958921	1.04	0.95
gamma-glutamyl-alpha-lysine	ME959077	1.04	0.96
homocitrulline	ME958977	1.04	0.96
N6,N6,N6-trimethyllysine	ME958880	1.01	0.99
N6-methyllysine	ME959058	1.01	0.99
betonicine	ME959035	1.01	0.99
3-amino-2-piperidone	ME959085	1.01	0.99
5-methyl-2^-deoxycytidine	ME959039	1.01	0.99
1-methylhypoxanthine	ME959070	1.01	0.98
pipecolate	ME958937	1.02	0.98
lysine	ME958902	1.02	0.98
fructosyllysine	ME959071	1.02	0.98
2-methylbutyrylglycine	ME958986	1.02	0.98
5-(galactosylhydroxy)-lysine	ME959042	1.02	0.98
N1-methylinosine	ME959005	1.00	1.00
maleoylcarnitine	ME959073	1.00	1.00
imidazole propionate	ME959059	1.00	1.00
5-methylcytidine	ME958970	1.00	1.00
gamma-glutamylthreonine	ME959001	1.00	1.00
tyrosine	ME958927	0.99	1.01
gamma-glutamylvaline	ME958984	0.99	1.01
N,N-dimethylalanine	ME959086	0.99	1.01
picolinoylglycine	ME959092	0.96	1.19
nicotinamide N-oxide	ME959047	0.85	1.08
valine	ME958920	0.92	1.08
S-carboxymethyl-cysteine	ME959040	0.92	1.08
2-oxo-1-pyrrolidinepropionate	ME959056	0.92	1.08
2-piperidinone	ME959065	0.92	1.08
homoarginine	ME958976	0.94	1.07
5-hydroxylysine	ME958959	0.93	1.07
2-aminoheptanoate	ME959068	0.93	1.07
4-hydroxyglutamate	ME959045	0.93	1.07
argininate*	ME959048	0.91	1.10
hypotaurine	ME958898	0.91	1.10
2-oxoarginine*	ME959049	0.90	1.11
cysteine s-sulfate	ME958974	0.90	1.10
proline	ME958909	0.90	1.10
biotin	ME958889	0.87	1.13
anthranilate	ME958952	0.88	1.13
N-acetylhomocitrulline	ME959090	0.88	1.13
indolepropionate	ME958982	0.89	1.11
tryptophan	ME958919	0.89	1.11
N-acetylcarnosine	ME959062	0.89	1.13
N-acetylhistidine	ME958994	0.89	1.12
ectoine	ME959025	0.89	1.12
N-acetylglucosamine/N-acetylgalactosamine	ME959072	0.89	1.12
taurocyamine	ME959009	1.08	0.75
tiglylcarnitine (C5:1-DC)	ME959022	1.04	0.76
glycerophosphoethanolamine	ME959024	1.05	0.94
stachydrine	ME958997	1.05	0.95
glutamine	ME958917	1.06	0.93
S-methylcysteine sulfoxide	ME959052	1.06	0.93
isoleucine	ME958899	1.06	0.94
N1-methyladenosine	ME958950	1.06	0.94
1-methylguanidine	ME958969	1.07	0.92
hydroxyasparagine**	ME959082	1.07	0.92
trigonelline (N^-methylnicotinate)	ME958983	1.07	0.93
leucine	ME958901	1.07	0.93
glycine	ME958895	1.07	0.93
gamma-glutamylglycine	ME958995	1.07	0.93
gamma-glutamylglutamine	ME958943	1.07	0.93
2^-deoxycytidine	ME958961	1.07	0.93
beta-alanine	ME958887	1.07	0.93
2-methylbutyrylcarnitine (C5)	ME959017	1.11	0.92
tigloylglycine	ME958944	1.07	0.89
gamma-glutamylcitrulline*	ME959084	1.08	0.92
(N(1) + N(8))-acetylspermidine	ME959080	1.08	0.91
phosphate	ME958908	1.08	0.91
imidazole lactate	ME958963	1.09	0.91
carnitine	ME958955	1.10	0.90
taurine	ME958913	1.09	0.90
guanidinoacetate	ME958896	1.09	0.90
betaine	ME958923	1.09	0.90
creatine	ME958948	1.09	0.90
N,N-dimethylvaline	ME959097	1.11	0.89
5-methylthioadenosine (MTA)	ME958883	1.10	0.89
carboxyethyl-GABA	ME959055	1.10	0.88
N,N-dimethyl-pro-pro	ME959098	1.10	0.87
creatinine	ME958891	1.12	0.88
urea	ME958915	1.12	0.87
3-methylcytidine	ME959012	1.12	0.87
gamma-carboxyglutamate	ME959046	1.12	0.87
N6-carboxymethyllysine	ME959028	1.11	0.87
cysteinylglycine disulfide*	ME959043	1.11	0.88
N-acetyl-aspartyl-glutamate (NAAG)	ME959023	1.11	0.88
N-methylproline	ME959033	1.14	0.85
N-acetylarginine	ME958992	1.14	0.85
gamma-glutamylmethionine	ME959000	1.14	0.85
N-acetyl-1-methylhistidine*	ME959066	1.14	0.85
adenosine	ME958922	1.15	0.83
ergothioneine	ME959036	1.16	0.83

Factors:

F1	SAMPLE_DESCRIPTION:baseline blood
F2	SAMPLE_DESCRIPTION:Intoxication blood

Data matrix