Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Control of Topoisomerase II Activity and Chemotherapeutic Inhibition by TCA Cycle Metabolites (Study ST001658)

Reversed phase POSITIVE ION MODE (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