Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001658)

(Analysis AN002706)

Metabolite	Structure	F1	F2	F3
MFCD00037215	ME388909	0.01	0.01	2.99
Pioglitazone	ME388937	0.00	0.01	2.99
N-Acetylneuraminic acid	ME388922	0.00	0.01	2.99
4-Hydroxyprolylthreonine	ME388821	0.00	0.01	2.99
4-guanidinobutanal	ME388818	0.00	0.01	2.99
1,1^-(2,5-Pyrazinediyl)di(1,2,3,4-butanetetrol)	ME388795	0.00	0.01	2.99
2^-deoxymugineic acid	ME388810	0.00	0.01	2.99
Reduced Glutathione	ME388952	0.01	0.00	2.99
5-Oxotetrahydrofuran-2-carboxylic acid	ME388829	0.01	0.00	2.99
Benserazide	ME388843	0.01	0.00	2.99
Threonine	ME388959	0.00	0.00	2.99
lys-leu	ME388900	0.00	0.00	2.99
L-(-)-Serine	ME388884	0.00	0.00	2.99
L-Histidine	ME388894	0.00	0.00	2.99
L-(+)-Aspartic acid	ME388886	0.00	0.00	2.99
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid	ME388714	0.00	0.00	2.99
ethyl argininate	ME388868	0.00	0.00	2.99
Ofloxacin ethyl ester	ME388932	0.00	0.00	3.00
N,N-diacetyllegionaminic acid (2)	ME388917	0.00	0.00	3.00
Methionine sulfoxide	ME388906	0.00	0.00	3.00
L-Pyroglutamic acid (2)	ME388897	0.00	0.00	3.00
Kanosamine	ME388882	0.00	0.00	3.00
DL-Arginine	ME388864	0.00	0.00	3.00
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name)	ME388716	0.00	0.00	3.00
D-(-)-Glutamine	ME388855	0.00	0.00	3.00
Kanosamine (2)	ME388883	0.00	0.03	2.97
L-Glutamic acid	ME388892	0.01	0.02	2.98
3,4-Diaminopyridine	ME388814	0.01	0.02	2.97
arg-ala	ME388842	0.01	0.02	2.97
Lysylvaline	ME388901	0.00	0.02	2.97
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID (2)	ME388828	0.00	0.02	2.98
N,N-diacetyllegionaminic acid	ME388916	0.00	0.02	2.98
ISOXYL	ME388881	0.02	0.01	2.97
val-arg	ME388969	0.01	0.01	2.98
pro-gln	ME388944	0.01	0.01	2.98
Maleamic acid	ME388903	0.01	0.01	2.98
Cadaverine	ME388849	0.01	0.01	2.98
DL-Citrulline	ME388865	0.01	0.01	2.98
val-asn	ME388970	0.01	0.03	2.96
3-Pyrroline	ME388817	0.03	0.01	2.96
Oxaceprol	ME388933	0.02	0.02	2.96
Dehydroglycine	ME388858	0.02	0.02	2.96
N~6~,N~6~-Dimethyllysine	ME388919	0.02	0.02	2.96
Tetraacetylethylenediamine	ME388958	0.01	0.11	2.87
NJ5000000	ME388926	0.06	0.07	2.87
NPYR	ME388929	0.07	0.03	2.90
Histamine	ME388878	0.06	0.05	2.89
L-Proline	ME388895	0.06	0.05	2.89
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid	ME388793	0.02	0.04	2.94
ala-ser	ME388838	0.02	0.04	2.94
D-Glucosamine	ME388859	0.01	0.05	2.94
Streptamine	ME388955	0.02	0.05	2.93
tiapride	ME388960	0.03	0.03	2.94
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol	ME388805	0.03	0.04	2.93
(Z)-dehydrobutyrine	ME388718	0.03	0.04	2.93
N6-METHYLLYSINE	ME388920	0.03	0.04	2.92
spinacine	ME388954	0.03	0.04	2.92
Methylimidazoleacetic acid	ME388907	0.00	0.09	2.90
pro-gln (2)	ME388945	0.03	0.07	2.90
6-Oxo-pipecolinic acid	ME388832	0.02	0.07	2.91
Miglitol	ME388911	0.02	0.07	2.91
Muramic acid	ME388912	0.00	0.27	2.73
Succinyl proline	ME388956	0.00	0.18	2.81
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-carboxamide	ME388803	0.00	0.22	2.78
Methylol Dimethylhydantoin	ME388908	0.00	0.21	2.79
HIDA	ME388877	0.13	0.04	2.83
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID	ME388827	0.10	0.10	2.80
MA4000000	ME388902	0.12	0.13	2.75
4-Morpholinylacetic acid	ME388824	0.33	0.07	2.60
NI3400000	ME388924	0.71	0.06	2.23
L-Theanine	ME388898	0.50	0.23	2.27
(Z)-dehydrobutyrine (2)	ME388719	0.36	0.31	2.33
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose	ME388796	0.01	0.75	2.25
2-Acetamido-2-deoxyglucose	ME388804	0.03	0.91	2.07
Aminolevulinic acid	ME388840	0.03	0.35	2.62
D-(+)-Glucose	ME388856	0.03	0.39	2.58
2,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONE	ME388801	0.15	0.53	2.32
2^-Deoxyadenosine	ME388808	0.00	0.61	2.39
2-Hydroxyhippuric acid	ME388813	0.00	0.62	2.38
N-(4-Amino-1-carboxybutyl)glutamic acid	ME388915	0.06	0.49	2.45
5-(4-Hydroxybutyl)-2,4-imidazolidinedione	ME388826	0.01	0.51	2.48
LU3453000	ME388899	0.03	0.48	2.48
DL-Alanine	ME388863	0.07	2.20	0.73
Hexitol	ME388876	0.01	2.49	0.50
N-methylethanolamine phosphate	ME388927	0.48	2.49	0.02
Υ-Aminobutyric acid (GABA)	ME388975	0.36	2.51	0.14
2-Hydroxyfelbamate	ME388812	0.04	2.88	0.08
MFCD01664827	ME388910	0.00	2.99	0.01
(15R,27R)-18,21,24-Trihydroxy-2,50-dimethyl-27-{[(9Z,11Z)-9,11-octadecadienoyloxy]methyl}-18,24-dioxido-12,29-dioxo-13,17,19,23,25,28-hexaoxa-18lambda~5~,24lambda~5~-diphosphadopentacontan-15-yl 22-methyltetracosanoate	ME388713	0.01	2.95	0.03
aldehydo-D-glucosamine 6-phosphate	ME388839	0.01	2.95	0.04
APM	ME388841	0.30	2.67	0.03
L-Alanyl-L-proline	ME388887	0.17	2.81	0.02
Proline	ME388948	0.23	2.75	0.02
Nicotinamide	ME388925	0.14	2.70	0.16
Imidazolelactic acid	ME388880	0.02	2.68	0.30
L-Aspartic acid	ME388888	0.00	2.77	0.22
glutaral	ME388872	2.80	0.16	0.03
pentobarbital (3)	ME388936	3.00	0.00	0.00
Gly-Lys	ME388874	2.99	0.01	0.01
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE	ME388914	2.99	0.00	0.01
Veronal (2)	ME388972	2.95	0.00	0.05
RV0540000	ME388953	2.93	0.02	0.05
Deanol	ME388857	2.93	0.03	0.04
Tiformin	ME388961	2.93	0.03	0.04
glu-pro	ME388871	2.97	0.01	0.02
Viloxazine	ME388974	2.95	0.02	0.03
Choline	ME388853	2.96	0.02	0.02
UB6600000 (2)	ME388968	2.96	0.02	0.02
Veronal	ME388971	2.94	0.05	0.00
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleucine	ME388830	2.94	0.04	0.02
Alanylclavam	ME388836	2.95	0.04	0.01
Homocitrulline	ME388879	2.89	0.10	0.01
Aceturic acid	ME388834	2.81	0.08	0.10
Piracetam	ME388938	2.85	0.09	0.06
2,4,6-triaminotoluene	ME388802	2.86	0.01	0.13
1-(5-Decanoyl-4-nonyl-1,4-dihydro-3-pyridinyl)-1-dodecanone	ME388794	2.89	0.04	0.07
Veronal (3)	ME388973	2.88	0.04	0.08
pentobarbital	ME388934	2.66	0.33	0.01
Caprolactam	ME388850	2.68	0.31	0.01
N-Acetylputrescine	ME388923	2.68	0.31	0.01
6-Oxo-pipecolinic acid (2)	ME388833	2.67	0.06	0.27
(±)-Abscisic acid	ME388712	2.64	0.12	0.24
lawsone	ME388889	2.53	0.28	0.20
Piracetam (2)	ME388939	2.54	0.29	0.17
Gly-l-pro	ME388873	2.40	0.25	0.35
Sulfuric acid	ME388957	2.47	0.23	0.30
3-amino-2,3-dideoxy-scyllo-inosose	ME388815	2.21	0.06	0.73
g-Guanidinobutyrate	ME388870	2.37	0.07	0.57
4-Imidazolemethanol (2)	ME388823	1.98	0.63	0.39
Butoctamide semisuccinate	ME388847	1.94	0.61	0.45
Adipamide	ME388835	1.90	0.43	0.67
melamine	ME388905	2.04	0.45	0.52
N,N-Diethylethanolamine	ME388918	1.98	0.45	0.56
Triethylamine	ME388964	2.17	0.38	0.45
UB6600000	ME388967	2.16	0.35	0.49
2-Aminonicotinic acid	ME388807	2.27	0.31	0.42
Bis(methylbenzylidene)sorbitol	ME388846	2.33	0.26	0.41
Triethanolamine	ME388963	2.19	0.68	0.13
Bicine	ME388845	2.15	0.59	0.26
Butoctamide semisuccinate (2)	ME388848	2.29	0.43	0.28
11-Aminoundecanoic acid	ME388798	2.20	0.46	0.34
Triisopropanolamine	ME388965	2.23	0.51	0.27
N-methylethanolamine phosphate (2)	ME388928	1.53	1.28	0.19
Pyridoxamine	ME388949	1.56	1.20	0.24
Timonacic	ME388962	2.02	0.97	0.01
ALA-PRO	ME388837	1.75	1.20	0.05
pentobarbital (2)	ME388935	1.83	1.17	0.00
Betaine	ME388844	1.05	1.78	0.17
Diethylene glycol	ME388860	0.94	1.51	0.56
l-Histidinal	ME388893	1.05	1.21	0.74
trimethadione	ME388966	1.01	1.28	0.72
Pro-Glu	ME388946	0.17	1.36	1.47
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}-2-pyrrolidinecarboxylic acid (non-preferred name)	ME388797	0.00	1.23	1.77
Pro-Glu (2)	ME388947	0.06	1.22	1.72
4-Hydroxyprolylalanine	ME388819	0.01	1.90	1.09
L-(+)-Alanine	ME388885	0.10	1.75	1.15
6-Oxolysine	ME388831	0.27	1.55	1.18
L-Pyroglutamic acid	ME388896	0.05	1.62	1.33
1H-Imidazol-2-ol (2)	ME388800	0.64	1.41	0.95
Pyrimidine	ME388950	0.53	1.44	1.03
1H-Imidazol-2-ol	ME388799	0.39	1.13	1.47
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-proline	ME388717	0.49	1.28	1.24
Guvacine	ME388875	0.98	0.82	1.20
PPG n10	ME388940	0.95	0.80	1.24
Pyrimidine (2)	ME388951	1.13	0.95	0.92
4-Imidazolemethanol	ME388822	0.79	1.18	1.04
Cyclohexylamine	ME388854	0.89	1.08	1.03
2^-Deoxycytosine	ME388809	1.59	0.34	1.07
Dimethyl octanediimidate	ME388862	1.21	0.61	1.19
PPG n9	ME388943	1.19	0.60	1.21
N-Acetylleucylleucine	ME388921	1.26	0.43	1.31
Leu-Val	ME388891	1.18	0.50	1.32
2-ETHYL-4,5-DIMETHYLOXAZOLE	ME388811	1.21	0.51	1.28
EJ4025000	ME388866	1.20	0.53	1.27
nylon cyclic dimer (2)	ME388931	1.23	0.70	1.07
PPG n8	ME388942	1.26	0.63	1.11
4-Hydroxyprolylleucine	ME388820	1.30	0.54	1.16
carisoprodol	ME388852	1.32	0.63	1.05
capuride	ME388851	1.35	0.59	1.06
mebutamate	ME388904	1.35	0.56	1.10
EJ4025000 (2)	ME388867	1.40	0.74	0.86
2-Amino-4-[(4-aminobutyl)amino]butanoic acid	ME388806	1.37	0.65	0.98
Leu-Leu	ME388890	1.36	0.68	0.97
Dihydrothymine	ME388861	1.03	0.40	1.57
(2S)-2-Piperazinecarboxamide	ME388715	0.90	0.20	1.90
Furfural	ME388869	1.01	0.10	1.89
3-Aminopyrrolidine	ME388816	0.64	0.81	1.55
nylon cyclic dimer	ME388930	0.38	0.75	1.87
4-Morpholinylacetic acid (2)	ME388825	0.66	0.45	1.90
Muscimol	ME388913	0.58	0.60	1.82
PPG n10 (2)	ME388941	0.53	0.55	1.92

Factors:

F1	Treatment:HPLC fraction 4
F2	Treatment:HPLC fraction 5
F3	Treatment:HPLC fraction 6

Data matrix