Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003906)

Reversed phase NEGATIVE ION MODE (Analysis AN006411)

Metabolite	Structure	F1	F2	F3	F4
dihydroorotate	ME1033982	2.78	0.05	0.04	1.18
N-carbamoyl-L-aspartate	ME1034036	2.58	0.11	0.10	0.75
UTP	ME1034086	0.38	1.49	1.28	1.09
UDP	ME1034080	0.42	1.71	1.24	1.06
xanthosine-5-phosphate	ME1034092	0.53	1.66	1.13	1.01
fructose-6-phosphate	ME1033995	0.79	1.77	0.98	0.92
glucose-1-phosphate	ME1033999	0.78	1.78	0.99	0.91
4-Pyridoxic acid	ME1033938	0.80	1.55	0.96	1.07
CDP-choline	ME1033958	0.85	1.61	0.99	0.96
dGMP/AMP	ME1033980	0.69	2.03	0.91	1.07
Thiamine pyrophosphate	ME1034076	0.78	2.10	0.83	0.85
D-sedoheptulose-1/7-phosphate	ME1033972	0.78	2.68	0.80	1.01
hexose-phosphate	ME1034011	0.87	2.50	0.89	0.87
acetyl-aspartate	ME1033943	1.03	2.18	0.51	0.87
VD	ME1034088	1.15	1.82	0.81	0.69
dAMP	ME1033974	0.96	0.80	0.65	1.88
Isopentyl-PP	ME1034021	1.45	0.78	0.55	1.34
HVDD	ME1034014	1.32	0.44	1.27	0.69
2-Hydroxy-2-methylbutanedioic acid	ME1033933	1.24	0.70	1.48	0.50
coenzyme A	ME1033963	0.99	0.74	1.43	0.71
NADPH	ME1034039	0.91	0.89	1.48	0.67
5-phosphoribosyl-1-pyrophosphate	ME1033940	0.47	0.81	1.19	1.40
UMP	ME1034084	0.69	0.66	1.04	1.57
nicotinate	ME1034041	0.70	0.59	1.32	1.18
succinate/Methylmalonic acid	ME1034074	0.75	0.96	1.18	1.17
Aminoadipic acid	ME1033952	0.66	0.91	1.30	1.09
dTMP	ME1033988	0.54	0.92	1.38	1.14
PEEK	ME1034052	1.00	1.01	1.19	0.79
Acetyllysine	ME1033945	0.96	0.77	1.21	0.94
a-ketoglutarate	ME1033942	1.09	0.79	1.12	0.91
DLH	ME1033985	1.12	0.83	1.15	0.82
S-methyl-5^-thioadenosine	ME1034067	1.16	0.88	1.13	0.75
L-arginino-succinate	ME1034023	0.97	1.30	0.98	0.86
Sedoheptulose bisphosphate	ME1034070	0.99	1.26	0.99	0.89
dGTP/ATP	ME1033981	1.06	1.18	0.99	0.86
PEE	ME1034051	1.12	1.24	0.97	0.83
N-acetyl-L-ornithine	ME1034035	0.97	1.03	1.09	0.92
Pyrophosphate	ME1034062	0.96	1.18	1.03	0.87
UDP-D-glucuronate	ME1034082	0.96	1.14	1.10	0.86
VDPVNF	ME1034089	1.00	1.15	1.07	0.84
IMP	ME1034018	1.02	1.27	0.93	0.99
dGDP/ADP	ME1033979	0.91	1.33	0.93	0.99
ADP-D-glucose	ME1033950	0.94	1.30	0.87	0.96
phosphoenolpyruvate	ME1034056	0.97	1.31	0.90	0.98
uridine	ME1034085	0.92	1.10	0.91	1.12
2-dehydro-D-gluconate	ME1033932	0.95	1.25	0.89	1.08
adenosine 5^-phosphosulfate	ME1033949	0.93	1.16	0.96	1.03
dCTP	ME1033978	0.94	1.18	0.90	1.06
glutathione disulfide	ME1034003	0.90	1.19	0.92	1.09
homocysteic acid	ME1034013	0.91	1.20	0.94	1.09
FAD	ME1033991	0.90	1.25	0.97	1.01
D-glucosamine-1/6-phosphate	ME1033971	0.92	1.15	1.02	0.98
malate	ME1034028	0.90	1.20	1.04	0.96
acetylphosphate	ME1033946	1.01	1.15	0.87	0.97
UDP-D-glucose	ME1034081	1.03	1.10	0.90	1.01
GDP	ME1033997	1.00	1.22	0.98	0.94
fumarate	ME1033996	0.95	1.16	0.96	0.93
Guanidoacetic acid	ME1034007	1.00	1.16	1.02	0.93
myo-inositol	ME1034031	0.98	1.16	0.99	0.95
3-phosphoglycerate	ME1033935	1.02	1.10	0.97	0.96
methionine	ME1034030	1.03	1.11	0.98	0.92
ribose	ME1034064	1.04	1.10	0.97	0.92
proline	ME1034057	1.00	1.15	0.95	0.98
dCMP	ME1033977	0.99	1.11	0.99	0.99
valine	ME1034087	0.97	1.10	0.97	1.01
sn-glycerol-3-phosphate	ME1034073	1.09	0.81	0.87	1.19
tyrosine	ME1034079	1.09	0.79	0.98	1.06
pyridoxine	ME1034060	1.02	0.86	0.95	1.11
thiamine	ME1034075	1.02	0.80	1.00	1.11
cytidine	ME1033967	1.08	0.87	0.96	1.03
leucine	ME1034026	1.06	0.94	0.94	1.04
phenylalanine	ME1034054	1.07	0.96	0.95	0.99
fructose-1-6-bisphosphate	ME1033994	0.99	0.88	1.06	1.01
glutamine	ME1034001	0.96	0.99	1.05	1.00
maleic acid	ME1034029	0.99	1.04	1.02	0.97
Phenol Red	ME1034053	0.97	1.03	1.01	1.00
isoleucine	ME1034020	1.01	1.02	0.96	1.02
D-gluconate	ME1033970	1.01	0.96	0.97	1.05
DAL	ME1033973	0.99	0.94	1.02	1.01
5-aminopentanoic acid	ME1033939	0.99	0.98	1.01	1.01
hydroxyproline/Aminolevulinate	ME1034016	0.99	0.98	1.00	1.03
histidine	ME1034012	1.05	0.98	1.06	0.89
1_3-Bisphosphoglyceric acid	ME1033930	1.05	0.95	1.00	0.98
2_3-Diphosphoglyceric acid	ME1033931	1.05	0.95	1.00	0.98
alanine/sarcosine	ME1033951	1.03	0.98	1.02	0.96
dihydroxy-acetone-phosphate	ME1033983	1.05	0.99	1.01	0.93
asparagine	ME1033954	1.02	0.92	1.06	0.97
threonine/homoserine	ME1034077	1.00	0.97	1.05	0.96
xanthine	ME1034090	0.87	0.84	1.05	1.18
FMN	ME1033992	0.82	1.00	1.06	1.12
nicotinamide mononucleotide	ME1034040	0.84	1.05	1.05	1.09
Nicotinic acid mononucleotide	ME1034042	0.96	0.95	0.98	1.13
acetyl-CoA	ME1033944	0.89	1.01	1.00	1.11
UDP-N-acetyl-glucosamine	ME1034083	0.92	1.01	1.01	1.07
GTP	ME1034006	1.30	1.05	0.90	0.74
6-phospho-D-gluconate	ME1033941	1.13	1.07	0.99	0.82
PE	ME1034050	1.13	1.05	0.97	0.86
SD	ME1034068	1.15	0.90	1.01	0.89
DL-Pipecolic Acid	ME1033984	1.14	0.94	0.98	0.91
PD	ME1034049	1.12	0.98	0.99	0.90
inosine	ME1034019	1.14	0.83	1.01	0.97
O-acetyl-L-serine	ME1034043	1.18	0.90	0.92	0.96
guanosine	ME1034009	1.17	0.88	0.99	0.96
PTT	ME1034058	1.19	0.87	0.97	0.91
dATP	ME1033975	1.28	0.93	0.91	0.84
4-aminobutyrate	ME1033936	1.21	0.96	0.87	0.94
glutamate	ME1034000	1.19	1.00	0.88	0.93
Hydroxyisocaproic acid	ME1034015	1.17	1.00	0.87	0.93
N-acetyl-glutamate	ME1034032	1.17	1.29	0.66	0.97
creatine	ME1033964	0.95	1.25	1.14	0.70
Hexose	ME1034010	1.05	1.44	1.04	0.66
Octulose Bisphosphate	ME1034044	0.92	1.43	0.98	0.88
ornithine	ME1034045	1.15	1.43	0.88	0.82
Kynurenine	ME1034022	0.70	1.23	0.76	1.31
dTDP	ME1033987	0.53	1.32	1.14	1.17
dTTP	ME1033989	0.52	1.24	1.25	1.11
CDP	ME1033957	0.69	1.15	1.07	1.15
aspartate	ME1033955	0.65	1.39	1.06	1.06
aconitate	ME1033947	0.68	1.27	1.13	1.03
CTP	ME1033965	0.68	1.21	1.13	1.04
4-phosphopantothenate	ME1033937	0.72	1.26	1.05	1.10
adenine	ME1033948	0.71	1.32	1.09	1.06
Citraconic acid	ME1033960	0.76	1.09	1.36	0.80
NADP+	ME1034038	0.80	1.13	1.17	0.96
DLS	ME1033986	1.42	0.53	0.96	0.75
SDL	ME1034069	1.39	0.83	0.89	0.78
arginine	ME1033953	1.38	0.78	0.85	0.90
lysine	ME1034027	1.38	0.81	0.83	0.89
CMP	ME1033962	0.91	0.51	0.89	1.44
glycerate	ME1034004	0.96	0.49	0.94	1.30
guanine	ME1034008	1.14	0.62	0.89	1.18
ribulose-5-phosphate	ME1034066	1.15	0.60	0.94	1.12
3-phospho-serine	ME1033934	1.07	0.55	1.04	1.07
serine	ME1034071	1.02	0.66	1.07	1.03
citrate/isocitrate	ME1033961	0.41	NA	1.69	0.90
NADH	ME1034037	0.58	NA	2.08	0.34
GMP	ME1034005	1.63	NA	0.61	0.76
SID	ME1034072	1.56	NA	0.83	0.61
cyclic-AMP	ME1033966	0.65	NA	1.27	1.08
D-glucarate	ME1033969	0.88	NA	1.26	0.86
PVNF	ME1034059	0.75	NA	1.40	0.86
N-Acetyl-L-alanine	ME1034034	0.78	NA	1.31	0.92
pantothenate	ME1034048	0.76	NA	1.35	0.89
Phenylpropiolic acid	ME1034055	1.17	NA	1.23	0.60
xanthosine	ME1034091	1.29	NA	1.02	0.69
glutathione	ME1034002	1.02	0.00	1.31	1.00
LD	ME1034025	1.10	NA	0.96	0.94
dCDP	ME1033976	1.09	NA	1.16	0.75
CDP-ethanolamine	ME1033959	1.02	NA	1.07	0.91
riboflavin	ME1034063	1.01	NA	1.15	0.84
oxaloacetate	ME1034047	0.54	NA	1.16	1.30
orotate	ME1034046	1.24	NA	0.78	0.99
folate	ME1033993	1.12	0.11	1.15	1.22
Pyroglutamic acid	ME1034061	0.82	NA	0.77	1.41
tryptophan	ME1034078	0.74	NA	0.83	1.43
lactate	ME1034024	1.06	NA	0.75	1.18
Ribose-5-phosphate	ME1034065	0.92	NA	0.84	1.24
EV	ME1033990	1.00	NA	0.87	1.13
N-acetyl-glutamine	ME1034033	1.00	NA	0.84	1.16
glucono-lactone	ME1033998	0.83	NA	0.95	1.22
carnitine	ME1033956	0.86	NA	1.09	1.05
D-erythrose-4-phosphate	ME1033968	0.83	NA	1.03	1.14
hypoxanthine	ME1034017	0.92	NA	0.98	1.10

Factors:

F1	Genotype:WT \| Treatment:10 nM Atovaquone
F2	Genotype:WT \| Treatment:140 nM Piperaquine
F3	Genotype:WT \| Treatment:None
F4	Genotype:WT \| Treatment:QC

Data matrix