Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000546)

HILIC NEGATIVE ION MODE (Analysis AN000833)

Metabolite	Structure	F1	F2	F3	F4
Ala-Glu-Ala-Glu	ME160975	0.82	1.24	0.94	NA
5-L-Glutamylglycine	ME160993	1.06	1.33	1.10	0.63
PG(34:3)	ME161142	0.86	0.86	1.27	NA
(S)-Malate	ME161100	1.10	0.88	1.01	1.00
PE(36:3)	ME161002	0.68	0.58	0.52	1.91
PE(P-40:4)	ME160969	0.49	0.35	0.29	2.40
PG(36:1)	ME161061	1.40	1.23	1.26	0.33
2-C-Methyl-D-erythritol 4-phosphate	ME161101	1.00	0.66	0.79	1.41
3-Phospho-D-glycerate	ME161018	0.81	0.54	0.51	1.86
4-Amino-4-deoxychorismate	ME161051	0.71	0.62	0.60	1.81
PG(34:1)	ME161139	1.23	1.18	1.62	0.23
N-Acetyl-D-glucosamine 6-phosphate	ME161017	0.56	0.56	0.53	2.02
PE(14:0/20:2(11Z,14Z))	ME160970	1.19	1.21	0.96	0.73
Sinalbin	ME161091	1.08	0.90	1.02	NA
PA(34:2)	ME161010	0.72	0.62	0.56	1.83
7-Methyl-3-oxooctanoyl-CoA	ME161069	0.72	0.52	0.55	1.91
(S)-ATPA	ME160972	1.13	1.60	1.25	0.27
1-18:2-2-18:2-monogalactosyldiacylglycerol	ME161020	0.84	0.91	0.83	1.31
Maleamate	ME161090	1.52	1.13	1.24	0.33
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	ME161145	0.89	0.82	1.29	NA
Orotate(Fragment)	ME161112	1.36	1.23	1.40	0.26
N-Amidino-L-glutamate	ME161096	1.03	0.93	1.04	NA
PI(36:4)	ME161026	0.66	0.65	0.61	1.81
2-Oxoglutarate	ME160937	0.92	1.03	0.64	1.31
PS(38:4)	ME160961	0.65	0.60	0.46	1.96
3-beta-D-Galactosyl-sn-glycerol	ME161025	0.40	0.43	0.43	2.30
PA(18:1(9Z)/0:0)	ME161036	0.59	0.69	0.65	1.80
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	ME161093	0.50	0.53	0.63	2.00
D-Mannitol 1-phosphate	ME161024	1.00	0.86	0.82	1.24
LysoPE(22:5)	ME161105	0.90	0.73	0.85	1.39
PIP(36:1)	ME161082	1.30	1.17	1.31	0.42
PS(40:5)	ME160962	0.73	0.67	0.51	1.82
2-16:0-lysoPG	ME161149	0.87	0.80	1.33	NA
N-Acetyl-D-mannosaminolactone	ME161113	0.96	0.98	1.17	0.92
N-Acetyl-D-glucosaminate	ME161050	0.43	0.38	0.36	2.37
N2-Succinyl-L-ornithine	ME160992	1.21	1.67	1.38	0.05
PI(36:1)	ME161004	1.52	1.38	1.20	0.17
4-Methyl-2-oxopentanoate	ME160995	0.62	0.66	0.56	1.88
3-Oxopropanoate	ME161086	0.84	0.61	0.71	1.63
PE(36:1)	ME161065	1.20	1.16	1.20	0.59
PE(31:4)	ME160987	0.73	0.72	0.63	1.69
[PI(18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1^-myo-inositol)	ME161019	1.10	0.81	0.76	1.25
PS(18:0/18:1(9Z))	ME161029	1.40	1.22	1.15	0.41
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	ME161076	1.13	1.02	1.10	0.81
(R,R)-Tartaric acid	ME161000	0.73	0.61	0.55	1.83
N-Succinyl-L-glutamate	ME161056	0.88	1.07	1.05	NA
[PE(18:2/18:2)] 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	ME160986	0.89	0.96	0.81	1.26
nonulose 9-phosphate	ME161022	0.78	0.55	0.51	1.87
PS(38:5)	ME160954	1.21	0.96	0.72	1.08
Pyridoxine phosphate	ME160967	1.32	0.94	0.77	0.91
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	ME161124	0.33	0.33	0.45	2.42
2-Oxoglutaramate	ME161063	1.03	1.43	1.54	0.25
N-Acetylmethionine	ME161087	1.13	1.25	1.44	0.39
Met-Thr-Asp	ME161006	1.11	0.62	0.57	1.52
PE(38:5)	ME160951	0.66	0.63	0.47	1.93
Phosphoenolpyruvate	ME161043	0.78	0.56	0.56	1.83
Phosphoramidate	ME160977	0.61	0.54	0.45	2.05
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)	ME160966	0.90	1.18	0.92	NA
5-Acetyl-2,4-dimethyloxazole	ME161041	0.74	0.65	0.63	1.74
Arg-Cys-Cys-Tyr	ME161150	1.17	0.65	1.18	NA
AMCC	ME161135	0.86	0.90	1.24	NA
LysoPE(20:5)	ME161111	1.19	0.96	1.15	0.69
Asp-Gln	ME161084	0.74	1.06	1.19	NA
ancymidol	ME161023	0.81	0.74	0.69	1.57
Asp-Phe-Pro-Tyr	ME160958	1.36	0.92	0.71	NA
LysoPE(20:4)	ME161072	0.63	0.57	0.59	1.91
Asp-Ser-Tyr-Tyr	ME161094	1.31	0.79	0.89	NA
Citrate	ME161081	0.39	0.32	0.36	2.45
Cyclic ADP-ribose	ME160996	1.32	1.21	1.02	0.59
D-Fructose	ME161080	0.92	0.78	0.90	1.30
FA hydroxy(10:0)	ME160944	0.96	0.71	0.51	1.62
N-Acetyl-L-citrulline	ME160976	0.73	1.28	0.99	NA
LysoPA(18:0)	ME160945	0.55	0.53	0.38	2.15
deacetylcolchicine	ME160947	0.71	0.59	0.43	1.95
D-Gluconic acid	ME161038	0.35	0.37	0.37	2.44
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	ME161068	0.47	0.38	0.40	2.31
Phaeantharine	ME161126	0.82	0.99	1.19	NA
(S)-Lactate	ME161098	0.61	0.81	0.93	1.49
Orotidine	ME160998	0.53	0.53	0.44	2.12
sn-glycero-3-Phosphoethanolamine	ME161027	0.63	0.53	0.51	2.00
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol)	ME161053	0.86	1.08	1.07	NA
Phosphodimethylethanolamine	ME160953	1.26	1.20	0.86	0.03
PA(36:3)	ME160991	0.71	0.65	0.56	1.81
PG(36:3)	ME161137	0.93	0.87	1.20	NA
1-thio-beta-D-glucose	ME161147	0.90	0.83	1.27	NA
PG(36:4)	ME161131	1.00	1.02	1.31	0.03
Glycochenodeoxycholate	ME161073	1.06	0.89	0.96	1.08
LysoPA(16:0)	ME161028	0.53	0.54	0.52	2.06
Phosphocreatine	ME160942	0.38	0.49	0.34	2.33
D-Glucuronate	ME161048	0.72	0.51	0.50	1.96
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid	ME161099	0.91	0.94	1.05	1.07
Ala-Lys-Asp-Pro	ME160964	0.72	1.32	0.96	NA
Ala-Ser	ME160980	1.06	1.75	1.40	0.09
octulose 8-phosphate	ME161125	0.35	0.30	0.40	2.46
PI(34:2)	ME161039	0.87	0.77	0.73	1.47
2,3-Bisphospho-D-glycerate	ME161071	0.61	0.42	0.45	2.14
FA(16:0)	ME161088	0.96	0.47	0.52	1.79
Asn-Met-Thr-Asp	ME161128	0.59	0.55	0.73	1.84
Cholesterolsulfate	ME161031	0.64	0.54	0.50	1.99
D-4^-Phosphopantothenate	ME161114	0.98	0.92	1.10	NA
Cholate	ME160983	1.12	1.05	0.85	1.02
D-Sedoheptulose 7-phosphate	ME161085	0.65	0.45	0.51	2.04
D-Xylonate	ME161104	0.26	0.23	0.27	2.68
Bergaptol	ME160960	0.66	0.56	0.45	2.00
CMP-2-aminoethylphosphonate	ME161042	0.81	0.83	0.77	1.45
Glycerol	ME160959	1.09	1.25	0.91	0.81
Histidinyl-Asparagine	ME161046	0.75	1.16	1.09	NA
D-Sorbitol	ME161021	0.27	0.30	0.29	2.60
Gravacridonetriol glucoside	ME160950	0.62	0.62	0.47	1.96
[PE(18:1/16:0)] 1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine	ME160989	0.99	1.25	1.05	0.78
2-Dehydro-3-deoxy-D-gluconate	ME161044	0.41	0.43	0.43	2.30
PI(38:5)	ME161001	1.15	0.98	0.85	1.01
Cys-Lys-Ser-Ser	ME160957	1.06	1.64	1.20	0.32
6-Phospho-D-gluconate	ME161083	1.32	0.78	0.85	1.04
PS(38:6)	ME160956	1.08	1.03	0.75	1.11
Miroestrol	ME160999	0.96	0.71	0.63	1.53
PE(P-38:4)	ME160948	0.40	0.35	0.26	2.49
LysoPE(18:2)	ME161144	0.75	0.72	1.09	1.33
PI(36:2)	ME161047	1.31	1.24	1.23	0.41
Imidazole-4-acetaldehyde	ME161054	0.45	0.46	0.49	2.20
L-Cysteine	ME161143	1.13	0.74	1.13	NA
PG(40:5)	ME161037	1.14	0.94	0.92	NA
Asp-Trp-Asp-Gln	ME161008	0.40	0.48	0.45	2.25
Cyclic 2,3-bisphospho-D-glycerate	ME161110	0.58	0.38	0.46	2.19
[FA (18:1)] 9Z-octadecenoic acid	ME161109	0.91	0.83	0.99	1.20
Fumarate	ME161079	0.68	0.60	0.65	1.81
Hydantoin-5-propionate	ME160940	1.28	1.76	1.15	0.10
D-Erythrose	ME161130	0.35	0.39	0.54	2.30
Icosatrienoic acid	ME161106	0.96	0.89	1.04	1.09
PG(36:2)	ME161122	1.34	1.26	1.58	0.11
PI(36:3)	ME161078	1.12	0.99	1.05	0.88
FA (20:0)	ME161012	0.90	0.63	0.55	1.69
FA (20:4)	ME161121	0.98	0.86	1.10	1.05
D-Glucosamine	ME160981	0.30	0.37	0.33	2.51
Gln-Leu-Lys-Tyr	ME160949	0.76	0.67	0.49	1.81
[FA (20:1)] 11Z-eicosenoic acid	ME161005	0.93	0.87	0.75	1.34
Asn-Ser	ME160979	1.03	1.10	0.87	NA
cis-(homo)3aconitate	ME160963	0.73	0.66	0.53	1.81
Acetyl phosphate	ME160938	0.88	0.78	0.49	1.64
4-Hydroxyphenylacetylglycine	ME161077	0.77	0.55	0.59	1.82
Raffinose	ME160934	0.33	0.73	0.30	2.23
3-Cyano-L-alanine	ME160952	1.13	1.29	0.96	0.72
PG(38:6)	ME161095	0.91	0.98	1.11	NA
N-D-Glucosylarylamine	ME161009	0.81	0.68	0.64	1.65
1-Sinapoyl-D-glucose	ME161138	0.87	0.86	1.20	1.06
PG(36:5)	ME161108	0.93	0.95	1.12	NA
1-Deoxy-D-altro-heptulose 7-phosphate	ME161141	0.97	0.84	1.19	NA
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	ME161032	1.33	1.23	1.10	0.51
Allogibberic acid	ME161003	0.36	0.34	0.32	2.49
PE(30:4)	ME160985	0.79	0.79	0.69	1.55
FA (19:1)	ME161102	0.79	0.78	0.90	1.40
HEPES	ME161097	1.39	1.04	1.20	0.53
L-beta-aspartyl-L-serine	ME161062	0.89	1.64	1.59	0.17
CMP	ME160946	0.94	1.24	0.80	NA
D-Glycerate	ME161107	0.48	0.52	0.65	2.02
PS(36:4)	ME160997	1.18	1.10	0.91	0.85
Cys-Leu-Cys-Tyr	ME161007	1.29	0.98	0.90	0.50
D-Xylonolactone	ME161016	0.86	0.58	0.49	1.80
D-Glucose 6-phosphate	ME160984	1.24	1.14	0.96	0.74
L-Aspartate	ME161049	0.71	0.65	0.65	1.75
PA(36:4)	ME160968	0.63	0.63	0.50	1.93
Benzyl sulfate	ME161120	0.87	0.71	0.88	1.38
D-Ribose 5-phosphate	ME161040	1.00	0.50	0.50	1.75
Ala-Gly-Tyr	ME161059	1.27	1.17	1.19	0.06
PG(40:6)	ME161064	1.02	0.97	1.00	NA
N-Acetyl-L-glutamate	ME161015	1.36	1.20	1.06	0.54
PI(40:5)	ME160988	1.52	1.25	1.04	0.40
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)	ME161132	0.85	0.93	1.22	NA
Sanguinarine	ME161070	0.53	0.58	0.60	1.97
Ser-Ser-Ser	ME161074	1.06	0.88	0.95	1.08
PS(34:2)	ME160965	1.41	1.20	0.90	0.23
Gln-Met-Met-Thr	ME161119	1.05	0.86	1.08	NA
Hydroxymethylphosphonate	ME161011	1.22	0.86	0.75	1.13
LacCer(d32:1)	ME160935	0.88	0.94	0.49	1.51
Ile-Thr	ME160973	0.86	1.23	0.91	NA
L-prolyl-L-glycine	ME160941	1.26	1.44	0.94	0.36
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid	ME161075	0.88	0.84	0.90	1.28
PS(34:1)	ME160955	1.30	1.31	0.96	0.57
PG(54:0)	ME160939	1.07	1.16	0.77	NA
gamma-L-Glutamyl-D-alanine	ME161058	0.78	1.13	1.09	NA
Ile-His-Val	ME161118	1.09	0.86	1.05	NA
Icosadienoic acid	ME161148	1.02	0.62	1.05	1.46
Kinobscurinone	ME161057	0.98	1.04	1.02	0.97
[PA(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate	ME161013	0.81	0.76	0.69	1.56
Orthophosphate	ME160974	0.75	0.59	0.49	1.88
Betaine	ME160982	0.39	0.42	0.38	2.36
Glycyl-Serine	ME161115	0.95	0.92	1.12	NA
PG(34:2)	ME161136	1.10	1.07	1.46	0.05
Dide-O-methylsimmondsin	ME160943	0.34	0.41	0.31	2.46
Melibiitol	ME161066	0.63	0.78	0.79	1.60
4-oxo-4-(3-pyridyl)-butanoate	ME161140	0.41	0.32	0.49	2.34
Met-Met-Ala	ME160990	0.73	1.28	0.99	NA
PG(33:1)	ME161127	1.00	0.86	1.13	NA
PS(18:0)	ME161092	0.74	0.73	0.81	1.55
Psychosine	ME161033	0.27	0.39	0.42	2.44
ADP-ribose	ME161055	1.17	0.94	0.89	NA
(S)-Dihydroorotate	ME161123	1.47	1.20	1.53	0.10
L-Cysteate	ME161129	0.80	0.70	0.92	1.44
LysoPE(18:0)	ME161116	0.92	0.81	1.00	1.20
LysoPE(18:3)	ME161146	0.92	0.81	1.26	NA
Phenolsulfonphthalein	ME161052	1.16	1.05	1.07	0.79
Sambutoxin	ME161134	0.86	0.73	0.98	1.32
melibionate	ME161067	0.61	0.49	0.51	2.04
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	ME160971	0.72	0.73	0.55	1.75

Factors:

F1	Artemisinin resistant:Resistant \| PfKelch13 mutation:C580Y
F2	Artemisinin resistant:Resistant \| PfKelch13 mutation:R539T
F3	Artemisinin resistant:Sensitive \| PfKelch13 mutation:WT
F4	Artemisinin resistant:Uinfected red blood cells \| PfKelch13 mutation:Control

Data matrix