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)

Normal phase POSITIVE ION MODE (Analysis AN002708)

Metabolite	Structure	F1	F2	F3
L-Proline	ME389290	0.04	0.61	2.36
tert-Butyl 3-amino-1-methyl-2,3-dioxopropylcarbamate	ME389361	0.10	0.57	2.32
MFCD00055782	ME389304	0.11	0.41	2.48
β-Alanine (3)	ME389386	0.05	0.54	2.42
Carbofuran	ME389223	0.03	0.50	2.48
glu-pro	ME389254	0.02	0.51	2.46
trimethadione (2)	ME389372	0.00	0.00	2.99
N-Nitrosoguvacoline	ME389333	0.00	0.00	2.99
N,N-diacetyllegionaminic acid (3)	ME389316	0.00	0.00	2.99
MFCD00037215	ME389302	0.00	0.00	2.99
ACPC	ME389199	0.00	0.00	2.99
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name) (2)	ME389080	0.00	0.00	2.99
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name)	ME389079	0.00	0.00	2.99
2^-deamino-2^-hydroxy-6^-dehydroparomamine	ME389176	0.00	0.00	2.99
(2S)-2-Piperazinecarboxamide	ME389077	0.00	0.00	2.99
trimethadione	ME389371	0.00	0.00	3.00
Threonine	ME389364	0.00	0.00	3.00
S-Allyl propanethioate	ME389357	0.00	0.00	3.00
N,N-diacetyllegionaminic acid	ME389314	0.00	0.00	3.00
N~6~,N~6~-Dimethyllysine	ME389320	0.00	0.00	3.00
Muramic acid	ME389308	0.00	0.00	3.00
L-(-)-Serine	ME389275	0.00	0.00	3.00
L-Pyroglutamic acid (4)	ME389294	0.00	0.00	3.00
L-Pyroglutamic acid (3)	ME389293	0.00	0.00	3.00
L-Pyroglutamic acid	ME389291	0.00	0.00	3.00
L-Glutamic acid (3)	ME389286	0.00	0.00	3.00
L-Glutamic acid (2)	ME389285	0.00	0.00	3.00
L-Glutamic acid	ME389284	0.00	0.00	3.00
L-Aspartic acid	ME389281	0.00	0.00	3.00
L-(-)-Asparagine	ME389274	0.00	0.00	3.00
Kanosamine (2)	ME389272	0.00	0.00	3.00
Kanosamine	ME389271	0.00	0.00	3.00
Galactosamine	ME389250	0.00	0.00	3.00
DL-Histidine	ME389242	0.00	0.00	3.00
DL-Arginine (3)	ME389239	0.00	0.00	3.00
DL-Arginine (2)	ME389238	0.00	0.00	3.00
DL-Arginine	ME389237	0.00	0.00	3.00
D-(-)-Glutamine	ME389230	0.00	0.00	3.00
D-Glucosamine	ME389233	0.00	0.00	3.00
ACPC (2)	ME389200	0.00	0.00	3.00
4-methylthio-2-oxobutanoic acid	ME389191	0.00	0.00	3.00
3,4-Diaminopyridine	ME389182	0.00	0.00	3.00
2^-deoxymugineic acid	ME389178	0.00	0.00	3.00
2^-deoxymugineic acid (2)	ME389179	0.00	0.00	3.00
L-Pyroglutamic acid (2)	ME389292	0.01	0.00	2.99
spinacine	ME389358	0.01	0.00	2.99
val-arg	ME389378	0.00	0.01	2.99
THP(A)	ME389363	0.00	0.01	2.99
N,N-dimethylarginine	ME389317	0.00	0.01	2.99
NJ5000000	ME389329	0.00	0.01	2.99
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-carboxamide	ME389169	0.00	0.01	2.99
muramic acid (3)	ME389310	0.00	0.01	2.99
N,N-diacetyllegionaminic acid (2)	ME389315	0.01	0.01	2.99
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name) (3)	ME389081	0.01	0.01	2.99
N6-METHYLLYSINE	ME389321	0.01	0.01	2.99
HEPES	ME389262	0.01	0.01	2.97
trimethadione (3)	ME389373	0.01	0.01	2.98
Streptamine	ME389359	0.01	0.01	2.98
Pyrogallol	ME389354	0.01	0.01	2.98
NJ5000000 (2)	ME389330	0.01	0.01	2.98
nicotianamine	ME389328	0.01	0.01	2.98
N6-METHYLLYSINE (2)	ME389322	0.01	0.01	2.98
LU3453000 (2)	ME389297	0.01	0.01	2.98
L-Glutamic acid (5)	ME389288	0.01	0.01	2.98
Homo-L-arginine	ME389268	0.01	0.01	2.98
D-Serine	ME389244	0.01	0.01	2.98
4-(2-Carboxy-1-azetidinyl)-N-(3-carboxy-3-hydroxypropyl)threonine	ME389184	0.01	0.01	2.98
DL-Histidine (2)	ME389243	0.01	0.01	2.98
N-Acetylneuraminic acid	ME389325	0.00	0.01	2.98
Choline Alfoscerate	ME389225	0.00	0.02	2.98
muramic acid (2)	ME389309	0.00	0.02	2.98
Val-lys	ME389379	0.02	0.02	2.96
Reduced Glutathione	ME389355	0.02	0.02	2.96
pentetrazol	ME389343	0.02	0.02	2.96
L-Theanine	ME389295	0.02	0.02	2.96
2-Acetamido-2-deoxyglucose	ME389171	0.02	0.02	2.96
Histamine	ME389265	0.02	0.02	2.96
arg-ala	ME389211	0.02	0.02	2.97
Lysylvaline	ME389298	0.01	0.02	2.97
2-Oxo-4-pentenoic acid	ME389181	0.01	0.02	2.97
LU3453000	ME389296	0.01	0.02	2.97
Streptamine (2)	ME389360	0.01	0.03	2.96
(2Z)-2-Aminobut-2-enoate	ME389083	0.02	0.03	2.95
Tris(hydroxymethyl)aminomethane	ME389376	0.02	0.03	2.95
Aminolevulinic acid	ME389204	0.01	0.05	2.93
N-succinyl-LL-2,6-diaminopimelic acid	ME389336	0.03	0.03	2.94
Homoanserine	ME389266	0.03	0.03	2.94
Homo-L-arginine (2)	ME389269	0.03	0.03	2.94
ala-ser	ME389203	0.03	0.04	2.92
Arg-pro (2)	ME389213	0.03	0.04	2.92
agmatine	ME389201	0.02	0.04	2.93
DL-Glutamine	ME389241	0.03	0.04	2.93
Glycyl-4-hydroxyproline	ME389258	0.03	0.04	2.93
Aminolevulinic acid (5)	ME389208	0.04	0.20	2.76
Linamarin	ME389289	0.03	0.17	2.80
metharbital	ME389301	0.02	0.18	2.79
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME389195	0.01	0.15	2.83
6-Oxolysine	ME389196	0.02	0.15	2.83
N-acetyl-LL-2,6-diaminopimelic acid	ME389324	0.03	0.15	2.82
β-Alanine (2)	ME389385	0.03	0.16	2.81
L-(+)-Alanine	ME389276	0.08	0.04	2.88
agmatine (2)	ME389202	0.04	0.06	2.90
Threonylserine	ME389365	0.05	0.05	2.91
Aminolevulinic acid (6)	ME389209	0.06	0.08	2.86
Boc-Asn-Oh	ME389216	0.05	0.07	2.88
2-Acetamido-2-deoxyglucose (2)	ME389172	0.05	0.10	2.84
glu-thr	ME389255	0.08	0.09	2.83
MA4000000 (2)	ME389300	0.07	0.09	2.84
Daminozide	ME389231	0.01	0.13	2.85
pro-gln	ME389349	0.01	0.13	2.86
Aminolevulinic acid (4)	ME389207	0.02	0.09	2.89
2,4-Dimethyloxazole	ME389168	0.02	0.10	2.88
Aminolevulinic acid (2)	ME389205	0.03	0.10	2.87
N-Acetyl-D-mannosaminolactone	ME389323	0.03	0.10	2.87
Imidazolepropionic acid	ME389270	0.00	0.10	2.90
β-Alanine	ME389384	0.01	0.08	2.91
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name) (4)	ME389082	0.03	0.34	2.63
Proacacipetalin	ME389348	0.01	0.35	2.64
6-Oxolysine (2)	ME389197	0.01	0.40	2.59
Tetraacetylethylenediamine	ME389362	0.01	0.38	2.62
Coprine	ME389226	0.06	0.30	2.63
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}-2-pyrrolidinecarboxylic acid (non-preferred name)	ME389162	0.01	0.31	2.68
Gly-l-pro	ME389259	0.03	0.29	2.68
Miglitol	ME389307	0.17	0.09	2.75
2-Amino-3-(1H-imidazol-4-yl)propan-1-ol	ME389175	0.17	0.04	2.80
L-Glutamic acid (4)	ME389287	0.20	0.03	2.76
Glycine	ME389257	0.11	0.18	2.72
4-Aminopyridine (2)	ME389189	0.13	0.21	2.66
YU0650000	ME389382	0.17	0.16	2.67
Picolinamide	ME389347	0.03	0.99	1.97
2^-Deoxyadenosine	ME389177	0.04	1.28	1.68
4-Nitroaniline (2)	ME389194	0.13	1.33	1.54
Dibutyl phthalate	ME389236	0.76	1.23	1.00
Cyprodenate (2)	ME389229	1.00	1.11	0.89
Lauramide	ME389282	0.88	1.06	1.06
2-Amino-1H-benzimidazole	ME389173	0.82	0.83	1.35
NPYR	ME389334	1.11	0.66	1.23
NPYR (2)	ME389335	1.11	0.79	1.09
NI3400000	ME389327	0.86	0.12	2.02
(2S)-2-Piperazinecarboxamide (2)	ME389078	0.92	0.32	1.77
Veronal (2)	ME389381	0.91	0.21	1.88
g-Guanidinobutyrate	ME389253	1.70	0.10	1.20
Paracetamol	ME389341	1.44	0.07	1.49
2-(Diethylamino)ethanol	ME389164	1.98	0.56	0.46
Ethephon	ME389246	1.93	0.52	0.55
(+)-Eudesmin	ME389075	1.97	0.46	0.58
glyceraldehyde 3-phosphate	ME389256	2.01	0.47	0.52
4,6-Dimethyl-2(1H)-pyrimidinone	ME389185	1.77	0.71	0.52
PEG-4	ME389342	1.86	0.59	0.55
Cyclohexylamine	ME389227	1.37	0.79	0.83
nylon cyclic dimer	ME389339	1.58	0.72	0.70
4,6-Dimethyl-2(1H)-pyrimidinone (2)	ME389186	1.59	0.62	0.79
Gabapentin	ME389248	1.68	0.54	0.78
pentobarbital	ME389344	2.12	0.87	0.01
2-(Diethylamino)ethanol (2)	ME389165	1.64	0.82	0.54
11-Aminoundecanoic acid	ME389163	1.76	0.86	0.38
Butoctamide semisuccinate	ME389219	1.65	0.96	0.39
Fucosamine	ME389247	1.92	0.86	0.22
Proline (2)	ME389351	1.83	1.00	0.17
Triethanolamine	ME389368	1.73	1.07	0.19
2,4,6-triaminotoluene	ME389167	2.74	0.01	0.25
(±)-Abscisic acid	ME389076	2.72	0.03	0.25
trimethadione (4)	ME389374	2.66	0.13	0.22
lentiginosine	ME389283	2.74	0.14	0.12
N-Methylglutamate	ME389332	2.75	0.11	0.14
Betaine (2)	ME389215	2.70	0.11	0.19
g-Butyrobetaine	ME389252	2.74	0.08	0.18
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE	ME389313	2.99	0.00	0.01
N-methylethanolamine phosphate	ME389331	2.93	0.06	0.00
Phenylisocyanate	ME389346	2.93	0.03	0.04
Gly-Lys	ME389260	2.96	0.02	0.02
Tiformin	ME389366	2.95	0.03	0.01
4-Nitroaniline	ME389193	2.89	0.04	0.07
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)	ME389166	2.89	0.06	0.05
UB6600000	ME389377	2.91	0.05	0.05
4-Aminopyridine	ME389188	2.90	0.01	0.09
N-tetracosanoylsphinganine-1-phosphocholine	ME389337	2.87	0.01	0.12
ZV4	ME389383	2.86	0.04	0.10
Caprolactam	ME389220	2.75	0.24	0.01
Homocitrulline	ME389267	2.72	0.24	0.04
MFCD00041932	ME389303	2.84	0.14	0.01
Veronal	ME389380	2.81	0.17	0.02
[(1,2-Dioxo-1,2-ethanediyl)bis(oxy)]diammonium	ME389085	2.17	0.27	0.56
Cyprodenate	ME389228	2.16	0.30	0.55
4-Imidazolemethanol	ME389190	2.22	0.06	0.72
Triethylamine	ME389369	2.11	0.08	0.81
Choline	ME389224	2.39	0.28	0.33
Triethylamine (2)	ME389370	2.43	0.24	0.32
butalbital	ME389218	2.42	0.49	0.09
DL-Carnitine	ME389240	2.40	0.57	0.04
L-Alanyl-L-proline (3)	ME389280	2.40	0.60	0.01
N-Acetylputrescine	ME389326	2.40	0.60	0.00
N-Undecanoylglycine	ME389338	2.12	0.58	0.30
Desoxymycin	ME389232	2.25	0.48	0.27
trimethylglycine	ME389375	2.24	0.56	0.20
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	ME389160	0.55	2.42	0.03
PYRIDOXAMINE	ME389353	0.73	2.26	0.01
Dulcin	ME389245	0.73	2.18	0.09
gamma-Aminobutyric acid	ME389251	0.67	2.24	0.08
MA4000000	ME389299	1.17	1.36	0.48
Butabarbital	ME389217	1.09	1.81	0.10
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	ME389161	1.03	1.81	0.16
gaboxadol	ME389249	1.04	1.83	0.13
N~1~-Isopropyl-2-methylpropan-1,2-diamin	ME389319	1.00	1.95	0.05
RG8841500	ME389356	1.04	1.89	0.06
tin(ii) hydride	ME389367	1.04	1.88	0.08
Caprolactam (3)	ME389222	0.95	1.75	0.30
L-Alanyl-L-proline (2)	ME389279	0.76	1.88	0.37
Oryzalin metabolite	ME389340	1.60	1.38	0.02
Caprolactam (2)	ME389221	1.33	1.64	0.03
Pulcherriminic acid	ME389352	1.31	1.63	0.06
Midodrine	ME389306	0.19	2.68	0.13
4-ACETAMIDOBUTYRIC ACID	ME389187	0.25	2.73	0.02
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-one	ME389183	0.32	2.65	0.04
L-Alanyl-L-proline	ME389278	0.29	2.69	0.02
2-Hydroxyfelbamate	ME389180	0.02	2.85	0.14
6-Oxo-pipecolinic acid	ME389198	0.03	2.81	0.16
Kanosamine (3)	ME389273	0.04	2.81	0.15
4-Morpholinylacetic acid	ME389192	0.12	2.86	0.02
Betaine	ME389214	0.09	2.85	0.06
Proline	ME389350	0.00	2.97	0.03
N,N-Dimethylglycine	ME389318	0.02	2.93	0.05
2-Amino-2-deoxy-4-O-beta-D-galactopyranosyl-D-glucose	ME389174	0.01	2.95	0.04
APM	ME389210	0.01	2.95	0.04
Arg-pro	ME389212	0.03	2.89	0.07
MFCD01664827	ME389305	0.02	2.88	0.10
Muramic acid (4)	ME389311	0.01	2.89	0.11
D-Glucosamine (2)	ME389234	0.05	2.66	0.30
Hexaconazole (2)	ME389264	0.03	2.65	0.32
Hexaconazole	ME389263	0.02	2.76	0.21
2-[(2-Methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazine-1-carboxamide (2)	ME389170	0.00	2.72	0.27
Guvacine	ME389261	0.06	2.69	0.25
L-(+)-Aspartic acid	ME389277	0.05	2.72	0.23
Aminolevulinic acid (3)	ME389206	0.13	2.59	0.28
Phenylhydrazine	ME389345	0.14	2.51	0.35
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-proline	ME389084	0.30	1.72	0.98
D-Glucosamine (3)	ME389235	0.01	2.38	0.60
Muramic acid (5)	ME389312	0.01	2.21	0.78

Factors:

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

Data matrix