Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001652)

(Analysis AN002699)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
aminoimidazole carboxamide ribonucleotide	ME388615	2.37	0.91	0.90	0.62	0.29	0.81
lactate	ME388678	2.52	0.91	0.46	0.85	0.49	0.82
pantothenate	ME388621	2.62	0.82	0.54	0.83	0.43	0.72
3-phosphoglycerate	ME388695	2.37	1.02	0.55	0.72	0.55	0.83
myo-inositol	ME388686	2.15	0.96	0.75	0.76	0.54	0.80
N-acetyl-glucosamine-1/6-phosphate	ME388601	2.73	0.58	0.74	0.67	0.50	0.62
dihydroxy-acetone-phosphate	ME388687	2.93	0.87	0.43	0.59	0.51	0.57
glucono-Î´-lactone	ME388691	2.91	0.91	0.44	0.75	0.26	0.73
IDP	ME388660	3.12	0.79	0.36	0.84	0.24	0.60
dCTP	ME388667	1.39	0.16	1.31	0.79	1.52	0.18
NADH	ME388639	0.36	0.14	1.97	0.56	1.85	0.41
NADPH	ME388641	0.21	0.33	1.88	0.93	1.55	0.47
Uric acid	ME388710	1.05	0.55	1.75	0.71	0.79	2.20
ATP	ME388632	0.59	0.99	1.47	1.31	0.65	0.45
1_3-diphopshateglycerate	ME388608	0.29	1.31	1.06	1.77	0.88	0.01
2_3-Diphosphoglyceric acid	ME388609	0.25	1.32	1.07	1.78	0.89	0.01
CTP	ME388627	1.47	0.26	0.81	2.00	0.79	0.18
UTP	ME388628	1.24	0.53	0.82	1.83	0.82	0.44
3-methylphenylacetic acid	ME388701	1.39	1.17	0.85	1.36	0.46	0.46
IMP	ME388646	1.87	0.73	0.71	1.46	0.38	0.81
D-sedoheptulose-1/7-phosphate	ME388604	1.61	0.60	0.80	1.84	0.37	0.53
thymidine	ME388623	1.32	0.58	1.04	1.68	0.46	0.74
acetyl-CoA	ME388644	1.00	1.02	0.91	0.52	1.48	1.33
ADP-D-glucose	ME388636	1.83	0.88	0.81	0.95	0.64	0.86
fructose-1-6-bisphosphate	ME388616	1.77	1.02	0.72	0.81	0.79	0.93
tryptophan	ME388620	1.87	1.03	0.62	0.91	0.73	0.88
Citraconic acid	ME388670	1.53	0.93	0.93	0.87	0.72	1.11
glycerate	ME388682	1.62	0.98	0.81	0.84	0.78	1.11
phenylalanine	ME388706	1.38	1.07	0.85	1.05	0.68	1.05
purine	ME388685	1.39	1.13	0.93	0.87	0.76	0.83
pyruvate	ME388677	1.26	0.92	1.10	0.73	0.86	1.30
hydroxyphenylpyruvate	ME388692	0.99	0.94	0.85	1.11	1.13	1.12
Atrolactic acid	ME388708	1.00	0.97	0.82	1.13	1.11	1.09
Phenyllactic acid	ME388707	1.00	0.97	0.82	1.13	1.11	1.09
adenosine 5^-phosphosulfate	ME388658	1.07	1.08	1.15	0.72	0.91	1.08
dTDP	ME388654	0.92	1.01	1.16	0.91	0.89	1.18
FAD	ME388643	1.00	1.00	1.14	0.85	0.91	1.17
ADP	ME388659	0.93	1.05	1.07	0.82	1.06	1.15
S-methyl-5^-thioadenosine	ME388603	0.81	1.04	1.15	0.84	1.07	1.12
UDP	ME388645	0.80	1.09	1.18	0.81	1.00	1.18
GMP	ME388647	0.86	0.99	1.13	0.94	1.01	1.10
Octoluse Bisphosphate	ME388653	0.84	1.13	1.06	0.91	1.02	1.04
aspartate	ME388673	0.82	1.11	1.28	0.75	0.95	1.01
CDP	ME388655	0.77	1.13	1.18	0.71	1.12	1.06
GDP	ME388662	0.79	1.11	1.10	0.75	1.16	1.17
glutathione disulfide	ME388638	1.17	1.09	0.96	1.01	0.79	1.02
Pyroglutamic acid	ME388669	1.23	0.98	0.93	1.04	0.87	0.94
3-phospho-serine	ME388694	1.07	1.08	1.12	0.91	0.79	0.93
CDP-ethanolamine	ME388663	1.06	1.03	1.11	0.95	0.83	0.95
4-Pyridoxic acid	ME388693	1.04	0.98	1.14	1.02	0.81	0.90
CDP-choline	ME388629	1.08	1.03	1.11	1.06	0.72	0.88
N-Acetyl-L-alanine	ME388671	1.13	0.94	1.02	1.10	0.76	1.13
succinate	ME388684	1.08	0.97	1.10	1.00	0.79	1.09
UMP	ME388612	1.11	0.98	1.04	1.08	0.77	1.03
AMP	ME388622	1.05	0.95	1.07	1.07	0.83	1.02
dGMP	ME388617	1.05	0.95	1.07	1.07	0.83	1.02
NADP+	ME388640	1.08	1.00	1.04	1.03	0.84	1.02
UDP-N-acetyl-glucosamine	ME388637	1.08	0.97	1.07	0.99	0.87	0.99
UDP-D-glucose	ME388634	1.16	0.98	1.05	0.97	0.85	0.96
CMP	ME388611	1.15	0.96	1.07	1.08	0.74	0.94
D-gluconate	ME388656	1.13	0.91	1.10	1.03	0.81	0.96
7-methylguanosine	ME388602	0.98	0.95	1.15	1.00	0.93	0.84
Taurodeoxycholic acid	ME388631	0.92	0.95	1.18	1.03	0.92	0.80
a-ketoglutarate	ME388676	0.96	1.00	1.18	1.00	0.79	1.04
S-adenosyl-L-homoCysteine	ME388650	0.86	0.95	1.25	1.00	0.88	0.95
aconitate	ME388689	0.98	1.14	0.95	0.92	1.05	0.91
isocitrate	ME388697	0.98	1.03	1.08	0.86	1.03	0.97
citrate	ME388699	0.98	1.03	1.08	0.86	1.03	0.97
citrate/isocitrate	ME388698	0.98	1.03	1.08	0.86	1.03	0.97
cyclic-AMP	ME388613	0.97	1.07	1.12	0.83	0.96	1.02
FMN	ME388665	0.93	1.13	1.14	0.82	0.91	1.06
N-acetyl-glutamate	ME388696	0.86	1.07	1.00	1.11	0.96	1.02
Sedoheptoluse bisphosphate	ME388649	0.90	1.00	1.06	1.01	1.01	1.01
glucose-1-phosphate	ME388625	0.96	0.98	1.04	1.05	0.95	1.00
glucose-6-phosphate	ME388624	0.96	0.98	1.04	1.05	0.95	1.00
cholesteryl sulfate	ME388666	1.04	0.94	1.05	0.93	1.00	1.05
acetoacetate	ME388679	1.02	1.09	1.03	0.94	0.92	1.01
Cholic acid	ME388657	1.00	1.02	1.04	0.96	0.98	0.96
4-aminobutyrate	ME388681	1.02	1.00	1.07	1.00	0.91	0.95
dimethylglycine	ME388680	1.06	1.00	1.05	0.98	0.92	0.94
glutamate	ME388700	1.08	1.00	1.03	0.99	0.91	0.93
Hydroxyisocaproic acid	ME388672	0.93	1.24	0.95	1.06	0.86	0.94
NG-dimethyl-L-arginine	ME388619	1.08	1.10	0.98	1.09	0.85	0.75
phosphoenolpyruvate	ME388709	1.14	1.10	0.98	1.11	0.73	0.84
dATP	ME388630	1.26	0.73	1.13	0.86	1.02	0.89
coenzyme A	ME388642	0.87	0.53	1.43	0.93	1.17	0.78
folate	ME388661	0.85	0.69	1.32	1.02	1.04	0.91
glutathione	ME388605	0.92	0.73	1.21	0.97	1.09	1.02
Pyridoxamine	ME388711	0.97	0.77	1.13	1.00	1.08	1.02
dAMP	ME388614	1.21	0.79	1.05	1.47	0.51	0.89
dTMP	ME388610	1.23	0.82	1.05	1.44	0.50	0.87
dCDP	ME388651	1.10	0.87	1.04	1.39	0.64	0.85
nicotinate	ME388668	1.14	0.79	1.05	1.39	0.62	0.97
guanosine	ME388599	1.31	0.82	1.14	1.17	0.57	0.86
dCMP	ME388600	1.24	0.90	1.06	1.22	0.59	0.90
inosine	ME388607	1.14	0.99	1.06	1.19	0.61	0.95
sn-glycerol-3-phosphate	ME388688	1.53	0.77	0.77	1.32	0.75	0.80
UDP-D-glucuronate	ME388635	1.32	0.90	1.01	1.16	0.69	0.75
D-erythrose-4-phosphate	ME388618	1.39	0.94	0.88	1.09	0.80	0.85
malate	ME388674	1.28	0.85	0.91	1.23	0.82	0.83
6-phospho-D-gluconate	ME388606	1.29	0.86	0.91	1.23	0.79	0.86
fumarate	ME388683	1.27	0.87	0.90	1.25	0.79	0.89
GTP	ME388633	0.98	0.86	1.15	1.10	1.05	0.45
adenine	ME388675	1.06	0.73	1.14	1.26	0.87	0.64
5-phosphoribosyl-1-pyrophosphate	ME388652	1.06	0.55	1.14	1.27	1.01	0.76
dTTP	ME388626	1.24	0.50	1.05	1.25	1.04	0.69
xanthosine-5-phosphate	ME388648	1.02	0.59	0.93	1.68	0.80	1.03
2-Aminooctanoic acid	ME388704	0.99	0.90	0.66	1.19	1.20	1.56
Deoxycholic acid	ME388664	1.06	0.62	0.66	1.39	1.19	1.56
orotate	ME388702	0.74	0.10	0.83	2.79	0.10	2.49
dihydroorotate	ME388703	0.09	0.02	1.02	2.25	0.09	5.58
N-carbamoyl-L-aspartate	ME388690	0.13	0.06	1.08	2.35	0.21	4.45

Factors:

F1	Genotype:Drug Resistant \| Treatment:Atovaquone
F2	Genotype:Drug Resistant \| Treatment:Control
F3	Genotype:Drug Resistant \| Treatment:DSM-1
F4	Genotype:Wild-type \| Treatment:Atovaquone
F5	Genotype:Wild-type \| Treatment:Control
F6	Genotype:Wild-type \| Treatment:DSM-1

Data matrix