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 NEGATIVE ION MODE (Analysis AN002709)

Metabolite	Structure	F1	F2	F3
Citric acid	ME389501	0.72	0.05	2.23
4-O-Acetyl-N-acetylmannosamine	ME389487	0.05	0.06	2.90
N-Phenylacetyl pyroglutamic acid	ME389539	0.05	0.07	2.87
val-arg	ME389549	0.06	0.06	2.88
Galactosamine	ME389509	0.00	0.00	2.99
Threonine	ME389547	0.00	0.00	3.00
Orotidine (3)	ME389543	0.00	0.00	3.00
Ornithine	ME389541	0.00	0.00	3.00
N-Acetyl-L-serine	ME389535	0.00	0.00	3.00
N(6)-Methyladenosine	ME389531	0.00	0.00	3.00
DL-Arginine (2)	ME389506	0.00	0.00	3.00
DL-Arginine	ME389505	0.00	0.00	3.00
D-(-)-Glutamine (2)	ME389503	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)	ME389388	0.00	0.00	3.00
D-(-)-Glutamine	ME389502	0.00	0.00	3.00
ALA-GLU	ME389492	0.01	0.00	2.99
L-Aspartic acid	ME389518	0.01	0.00	2.99
N-acetyl-beta-D-glucosaminylamine	ME389533	0.01	0.01	2.99
muramic acid	ME389526	0.00	0.01	2.99
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid	ME389480	0.00	0.01	2.99
2^-deoxymugineic acid	ME389483	0.00	0.01	2.99
4-Oxoproline	ME389488	0.01	0.02	2.98
muramic acid (2)	ME389527	0.00	0.02	2.98
L-Glutamic acid	ME389520	0.02	0.00	2.98
Υ-Aminobutyric acid (GABA)	ME389551	0.02	0.00	2.98
HEPES	ME389516	0.02	0.01	2.97
β-Alanine	ME389550	0.02	0.01	2.97
Threonylserine	ME389548	0.01	0.01	2.98
N-Acetylneuraminic acid (2)	ME389537	0.01	0.01	2.98
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol	ME389477	0.01	0.01	2.98
6-(alpha-D-glucosaminyl)-1D-myo-inositol	ME389489	0.01	0.01	2.98
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopyranosyl)-D-glucose	ME389479	0.01	0.01	2.97
Asparagine	ME389498	0.01	0.01	2.97
Glycylglutamine	ME389514	0.03	0.04	2.93
Alanylclavam	ME389494	0.05	0.02	2.93
Glu-Gly	ME389512	0.05	0.03	2.92
ALA-GLU (2)	ME389493	0.00	0.04	2.96
N-Acetylneuraminic acid	ME389536	0.00	0.04	2.96
Oxaceprol	ME389545	0.02	0.02	2.96
N,N-diacetyllegionaminic acid	ME389532	0.02	0.02	2.96
Alanylthreonine	ME389495	0.02	0.02	2.96
2^-deamino-2^-hydroxy-6^-dehydroparomamine	ME389481	0.02	0.02	2.96
Adenosine	ME389491	0.02	0.02	2.96
N-(4-Amino-1-carboxybutyl)glutamic acid	ME389530	0.03	0.03	2.94
L-Theanine	ME389522	0.03	0.03	2.95
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	ME389475	0.02	0.03	2.95
Lysylvaline	ME389523	0.02	0.03	2.95
Orotidine (2)	ME389542	0.00	0.39	2.61
L-Glutamic acid (2)	ME389521	0.02	0.32	2.66
2,3,4,5,6,7-Hexahydroxyheptanoic acid	ME389478	0.00	0.33	2.67
beta-D-hamamelose	ME389500	0.00	0.32	2.68
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose	ME389476	0.04	0.23	2.73
D-Glucono-delta-lactone	ME389504	0.05	0.16	2.79
Orotidine (4)	ME389544	0.70	1.49	0.81
Gly-l-pro	ME389515	0.02	0.80	2.18
glu-pro	ME389513	0.10	0.85	2.05
entecavir	ME389507	0.01	0.92	2.07
Hexitol	ME389517	0.01	0.91	2.08
N(2)-succinyl-L-ornithine	ME389529	0.09	1.30	1.61
4-Hydroxyprolylalanine	ME389486	0.02	1.49	1.49
MFCD01664827	ME389524	0.11	1.56	1.33
Azelaic acid	ME389499	1.68	0.84	0.48
N-Nitrosoguvacoline	ME389538	2.43	0.51	0.05
N-Undecanoylglycine	ME389540	2.31	0.48	0.21
4,4^-Dihydroxydiphenylsulfone	ME389485	2.03	0.58	0.40
Fenson	ME389508	2.20	0.42	0.38
L-Aspartic acid (2)	ME389519	0.06	2.68	0.27
(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol	ME389387	0.13	2.82	0.04
N-Acetyl-DL-glutamic acid	ME389534	0.05	2.91	0.04
2^-deamino-2^-hydroxy-6^-dehydroparomamine (2)	ME389482	0.00	3.00	0.00
.alpha.-Aminoadipic acid	ME389389	0.00	3.00	0.00
MFCD01664827 (2)	ME389525	0.00	2.98	0.01
3-(3,4-dihydroxyphenyl)lactamide	ME389484	0.01	2.99	0.01
muramic acid (3)	ME389528	0.00	2.99	0.01
Phosphoaspartate	ME389546	0.02	2.94	0.04
Glucosamine	ME389510	0.00	2.97	0.03
Glucosamine (2)	ME389511	0.01	2.96	0.03
ALA-PRO	ME389496	0.31	2.38	0.31
7,8-dihydroneopterin 3^-phosphate	ME389490	0.02	2.35	0.63
ALA-PRO (2)	ME389497	0.07	2.39	0.54

Factors:

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

Data matrix