Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required for Parasite Membrane Homeostasis (Study ST001149)

Normal phase NEGATIVE ION MODE (Analysis AN001896)

Metabolite	Structure	F1	F2	F3	F4	F5
orotidine-5^-phosphate	ME274137	1.17	0.40	0.36	0.86	1.60
PVNF	ME274148	1.39	0.41	0.38	0.39	1.56
SD	ME274157	1.36	0.43	0.50	0.68	1.37
L-arginino-succinate	ME274112	1.32	NA	NA	0.56	1.13
SDL	ME274158	1.43	NA	NA	0.53	1.04
SID	ME274161	1.43	NA	NA	0.55	1.02
trehalose-6-Phosphate	ME274172	1.19	NA	NA	1.03	0.78
Myristoyl/tetradecanoyl-CoA	ME274120	0.94	NA	NA	1.06	1.00
4-phosphopantetheine	ME274038	1.02	NA	NA	1.04	0.94
Ribose-5-phosphate	ME274153	1.05	NA	NA	0.98	0.98
hydroxyproline/Aminolevulinate	ME274104	1.03	NA	NA	0.93	1.03
succinyl-CoA/methylmalonyl-CoA	ME274165	1.05	NA	NA	0.88	1.07
maleic acid	ME274117	1.15	NA	NA	0.83	1.02
proline	ME274147	1.09	NA	NA	0.81	1.10
dihydroorotate	ME274074	2.09	1.07	0.76	0.69	0.24
N-carbamoyl-L-aspartate	ME274130	1.72	0.83	0.60	1.27	0.49
4-Pyridoxic acid	ME274040	0.84	1.01	1.05	1.90	0.81
NADH	ME274127	0.84	1.50	1.47	1.22	0.55
fructose-6-phosphate	ME274089	1.00	1.01	1.50	1.04	0.73
thiamine	ME274167	0.85	1.40	1.52	0.79	0.90
sn-glycerol-3-phosphate	ME274163	1.31	0.27	2.10	0.30	0.88
thymidine	ME274170	0.92	0.00	1.91	NA	1.11
Pyrophosphate	ME274151	1.33	0.32	1.04	NA	1.05
hypoxanthine	ME274105	0.96	0.96	1.98	0.05	1.04
xanthosine	ME274185	1.11	0.92	1.62	0.11	1.07
glucose-1/6-phosphate	ME274093	1.17	0.67	1.20	NA	0.92
phenylpyruvate	ME274144	1.04	0.77	1.47	NA	0.85
xanthine	ME274184	0.83	0.55	1.30	NA	1.22
ornithine	ME274135	1.10	0.53	1.49	NA	0.91
carnitine	ME274053	0.94	0.38	1.60	NA	1.06
thymine	ME274171	0.95	0.51	1.52	NA	1.03
N-acetyl-glucosamine-1/6-phosphate	ME274121	1.40	0.35	1.41	0.41	0.91
nicotinate	ME274132	1.13	0.56	1.89	0.14	1.09
3-phospho-serine	ME274036	1.13	0.36	1.47	0.37	1.15
cytidine	ME274062	1.20	0.47	1.54	0.48	1.07
inosine	ME274108	1.17	0.51	1.56	0.39	1.12
malate	ME274116	1.25	0.64	1.61	0.26	1.01
N-Acetyl-L-alanine	ME274124	1.19	0.54	1.62	0.30	1.09
myo-inositol	ME274119	1.26	0.55	1.53	0.13	1.15
NAD+	ME274126	1.17	0.61	1.56	0.22	1.16
Octulose 8/1P	ME274133	1.10	0.55	1.58	0.24	1.22
S-methyl-5^-thioadenosine	ME274162	0.87	0.57	1.30	0.61	1.29
UMP	ME274179	0.95	0.43	1.40	0.45	1.41
2-oxo-4-methylthiobutanoate	ME274034	0.94	0.85	1.04	NA	1.11
N-acetyl-glutamine	ME274123	0.97	0.91	1.23	0.22	1.35
xanthosine-5-phosphate	ME274186	0.97	0.84	1.13	0.33	1.37
2-dehydro-D-gluconate	ME274032	1.15	0.67	1.06	0.19	1.32
2-Hydroxy-2-methylbutanedioic acid	ME274033	1.14	0.76	1.30	0.23	1.23
D-gluconate	ME274071	1.18	0.66	1.26	0.38	1.19
ribose-phosphate	ME274154	1.12	0.67	1.22	0.37	1.14
deoxyinosine	ME274068	0.91	1.74	0.21	NA	1.10
p-hydroxybenzoate	ME274146	0.91	1.58	0.22	NA	1.17
dGDP/ADP	ME274070	1.03	1.69	0.26	0.79	1.10
IMP	ME274106	1.16	1.45	0.14	0.63	1.24
PEEK	ME274142	1.51	0.70	0.57	0.12	1.34
Acetyllysine	ME274045	1.41	0.83	0.73	0.07	1.31
N-acetyl-L-ornithine	ME274125	1.36	0.90	0.70	0.11	1.32
DLH	ME274076	1.40	0.99	0.29	0.27	1.36
PE	ME274140	1.34	1.21	0.36	0.26	1.27
PEE	ME274141	1.32	1.15	0.29	0.21	1.38
5-phosphoribosyl-1-pyrophosphate	ME274041	1.39	0.97	0.43	0.57	1.15
PD	ME274139	1.43	0.89	0.68	0.35	1.15
DLS	ME274078	1.51	1.28	0.58	0.41	1.16
VD	ME274183	1.38	1.12	0.60	0.32	1.14
HVDD	ME274103	2.01	0.93	0.28	0.26	1.52
arginine	ME274050	1.90	1.25	0.51	0.40	0.93
DL-Pipecolic Acid	ME274077	1.73	1.01	0.26	0.44	1.19
lysine	ME274115	1.85	1.05	0.23	0.45	1.07
coenzyme A	ME274059	1.26	0.71	0.52	0.96	1.17
LD	ME274113	1.28	0.71	0.46	0.99	1.16
acetyl-aspartate	ME274043	1.21	0.39	0.40	1.14	1.25
folate	ME274087	1.18	0.56	0.64	1.05	1.17
pantothenate	ME274138	1.10	0.53	0.54	1.12	1.25
fructose-1-6-bisphosphate	ME274088	1.24	0.62	1.00	0.95	1.00
glutamate	ME274094	1.11	0.81	0.75	1.04	1.07
Octulose Bisphosphate	ME274134	1.19	0.77	0.63	1.04	1.11
4-aminobutyrate	ME274037	1.17	0.63	0.86	1.15	1.03
guanosine	ME274101	1.20	0.71	0.72	1.16	1.02
acetyl-CoA	ME274044	0.75	1.11	1.03	0.43	1.44
UTP	ME274181	0.84	1.02	1.08	0.41	1.39
dCTP	ME274067	1.06	0.94	1.14	0.41	1.20
FAD	ME274085	1.12	1.06	1.03	0.43	1.13
guanine	ME274100	1.14	1.03	1.15	0.39	1.09
D-sedoheptulose-1/7-phosphate	ME274079	1.14	0.79	1.16	0.55	1.13
NADP+	ME274128	1.08	0.95	1.04	0.64	1.11
a-ketoglutarate	ME274048	1.03	1.00	0.94	0.33	1.34
CDP-ethanolamine	ME274056	1.09	1.01	0.88	0.29	1.33
alanine/sarcosine	ME274049	1.14	1.15	0.81	0.40	1.19
glutathione disulfide	ME274096	1.15	1.11	0.90	0.30	1.21
CTP	ME274060	0.87	1.19	0.93	0.57	1.28
CDP	ME274054	0.90	1.08	0.83	0.68	1.29
CMP	ME274058	0.85	1.07	0.98	0.68	1.27
dCMP	ME274066	1.01	1.01	0.94	0.52	1.25
FMN	ME274086	1.02	1.22	0.86	0.56	1.17
dGMP/AMP	ME274072	1.17	1.11	0.75	0.56	1.13
dGTP/ATP	ME274073	1.10	1.02	0.86	0.64	1.15
UDP-D-glucose	ME274176	1.06	1.12	0.85	0.63	1.15
dCDP	ME274065	1.06	0.72	0.88	0.84	1.22
nicotinamide mononucleotide	ME274131	0.99	0.83	0.93	0.92	1.20
4-phosphopantothenate	ME274039	1.09	0.78	0.89	0.61	1.28
aspartate	ME274052	1.15	0.88	0.90	0.73	1.23
glucono-lactone	ME274092	0.98	0.96	1.04	0.99	1.03
Isopentyl-PP	ME274110	1.04	0.94	1.02	0.92	1.07
Thiamine pyrophosphate	ME274168	1.02	0.91	0.98	0.96	1.07
S-adenosyl-L-homocysteine	ME274156	1.08	1.02	0.76	1.06	1.01
Sedoheptulose bisphosphate	ME274159	1.12	0.83	0.84	0.93	1.09
methionine	ME274118	1.10	0.97	0.77	0.92	1.11
GTP	ME274099	1.08	0.94	0.84	0.96	1.06
tyrosine	ME274174	1.07	0.96	0.87	0.91	1.11
dATP	ME274064	1.10	1.08	0.79	0.84	1.06
valine	ME274182	1.13	1.01	0.84	0.79	1.16
leucine	ME274114	1.07	1.08	0.86	0.80	1.16
ribulose-5-phosphate	ME274155	1.03	1.12	0.87	0.79	1.18
6-phospho-D-gluconate	ME274042	1.10	1.04	0.71	0.75	1.16
GDP	ME274091	1.10	1.11	0.65	0.87	1.09
2_3-Diphosphoglyceric acid	ME274031	1.09	1.16	0.60	0.76	1.16
GMP	ME274098	1.04	1.12	0.62	0.84	1.17
histidine	ME274102	1.31	1.00	0.74	0.67	1.15
phenylalanine	ME274143	1.16	0.89	0.71	0.82	1.22
NADPH	ME274129	0.75	1.15	1.05	1.12	1.07
isoleucine	ME274109	0.97	1.15	0.99	0.89	1.07
pyridoxine	ME274149	0.90	1.18	1.02	0.90	1.10
asparagine	ME274051	1.06	1.24	1.15	0.78	0.97
serine	ME274160	1.08	1.23	1.12	0.79	0.96
CDP-choline	ME274055	0.92	1.18	1.16	0.77	0.97
glutamine	ME274095	0.99	1.13	1.16	0.90	0.96
tryptophan	ME274173	0.97	1.09	1.16	0.84	1.07
taurine	ME274166	1.08	1.08	1.01	0.93	0.89
threonine/homoserine	ME274169	1.15	1.16	0.99	0.76	1.01
dUMP	ME274083	0.44	1.47	1.04	NA	1.21
dihydroxy-acetone-phosphate	ME274075	0.93	1.71	1.27	0.38	0.94
orotate	ME274136	0.90	1.40	0.60	0.83	1.18
N-acetyl-glutamate	ME274122	1.03	1.33	0.57	0.49	1.27
3-phosphoglycerate	ME274035	1.06	1.28	0.54	0.62	1.23
phosphoenolpyruvate	ME274145	1.04	1.26	0.62	0.57	1.24
ADP-D-glucose	ME274047	1.08	1.35	0.57	0.66	1.13
dAMP	ME274063	1.08	1.46	0.63	0.55	1.10
dTDP	ME274080	0.82	1.43	0.72	0.38	1.40
dTMP	ME274081	0.86	1.49	0.67	0.39	1.35
dTTP	ME274082	0.83	1.21	0.88	0.38	1.42
UDP	ME274175	0.82	1.29	0.73	0.49	1.41
fumarate	ME274090	1.17	1.53	0.80	0.21	1.07
cyclic-AMP	ME274061	1.02	1.43	0.86	0.21	1.23
succinate/Methylmalonic acid	ME274164	0.97	1.55	0.76	0.29	1.23
UDP-N-acetyl-glucosamine	ME274178	1.00	1.36	0.80	0.39	1.23
aconitate	ME274046	0.99	1.46	0.71	0.37	1.16
UDP-D-glucuronate	ME274177	1.00	1.43	0.72	0.37	1.24
deoxyribose-phosphate	ME274069	0.96	1.50	0.85	NA	0.86
indole	ME274107	0.99	1.15	0.84	NA	1.01
uridine	ME274180	0.87	1.33	0.65	NA	1.12
dUTP	ME274084	1.01	1.37	1.11	0.30	1.06
glycerate	ME274097	0.95	1.40	1.17	0.03	1.18
pyruvate	ME274152	0.85	1.30	1.06	0.05	1.43
lactate	ME274111	1.10	1.20	0.96	0.09	1.28
citrate/isocitrate	ME274057	1.00	1.33	0.98	0.03	1.33
Pyroglutamic acid	ME274150	1.07	1.29	1.05	0.04	1.25

Factors:

F1	Drug treatment:Atovaquone, 2.5 hours
F2	Drug treatment:MMV009108, 2.5 hours
F3	Drug treatment:MMV019662, 2.5 hours
F4	Drug treatment:MMV028038, 2.5 hours
F5	Drug treatment:Untreated, 2.5 hours

Data matrix