Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Mitochondrial ATP fuels ABC transporter-mediated drug efflux in cancer chemoresistance (Study ST001730)

Reversed phase NEGATIVE ION MODE (Analysis AN002816)

Metabolite	Structure	F1	F2
UMP	ME402553	1.92	0.08
N-Acetylmethionine	ME402648	1.35	0.65
2-Deoxy-alpha-D-glucoside	ME402636	1.42	0.58
N-Acyl-D-mannosaminolactone	ME402637	1.41	0.59
D-Arabitol	ME402569	1.45	0.55
Adenine	ME402543	1.43	0.57
Ascorbate	ME402582	1.44	0.56
UDP	ME402552	1.74	0.26
UTP	ME402551	1.58	0.42
ADP	ME402541	1.62	0.38
CMP	ME402547	1.66	0.34
Guanosine	ME402544	0.34	1.66
N-Succinyl-L-citrulline	ME402592	0.41	1.59
Pantothenol	ME402594	0.67	1.33
2-Oxoglutarate	ME402571	0.73	1.27
5-Hydroxyisourate	ME402556	0.71	1.29
Ethanolamine phosphate	ME402597	0.60	1.40
Adrenic acid (7,10,13,16-Docosatetraenoic acid)	ME402620	0.59	1.41
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid)	ME402623	0.59	1.41
Catechin	ME402641	0.51	1.49
Phosphocreatine	ME402591	0.48	1.52
Riboflavin	ME402642	0.80	1.20
Cholesterol sulfate	ME402631	0.79	1.21
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid)	ME402618	0.79	1.21
CTP	ME402545	0.82	1.18
Glycerol 3-phosphate	ME402596	0.82	1.18
Inosine	ME402554	0.81	1.19
Malate	ME402575	0.81	1.19
2-Hydroxyglutarate/Citramalate	ME402576	0.83	1.17
Acetylcholine	ME402599	0.84	1.16
Sphingosine	ME402598	0.84	1.16
5-6-Dihydrothymine	ME402557	0.96	1.04
D-Ribose 5-diphosphate	ME402644	0.95	1.05
Thiocysteine	ME402595	0.95	1.05
2-Oxoglutaramate	ME402572	0.94	1.06
Octanoic acid (caprylic acid)	ME402605	0.93	1.07
D-Erythrose 4-phosphate	ME402577	0.93	1.07
Argininosuccinate	ME402586	0.93	1.07
2-Oxo-7-methylthioheptanoic acid	ME402649	0.93	1.07
alpha-D-Ribose 1-phosphate	ME402579	0.93	1.07
2/3-Phospho-D-glycerate	ME402564	0.92	1.08
Taurodeoxycholate/taurochenodeoxycholate/tauroursodeoxycholate	ME402626	0.92	1.08
Dehydroascorbate	ME402583	0.91	1.09
Heptanoic acid	ME402604	0.91	1.09
Glycochenodeoxycholate	ME402625	0.89	1.11
Pentanoate (valerate)	ME402602	0.90	1.10
Pyruvate	ME402565	0.90	1.10
Lactate	ME402566	0.88	1.12
Diphosphate	ME402559	0.87	1.13
Fumarate	ME402574	0.87	1.13
5-Oxoproline	ME402580	0.85	1.15
3-Oxalomalate	ME402635	0.86	1.14
Hypoxanthine	ME402555	0.86	1.14
D-glucono-1,5-lactone	ME402640	1.07	0.93
Sphinganine 1-phosphate	ME402601	1.06	0.94
S-Glutathionyl-L-cysteine	ME402581	1.06	0.94
Carnosine	ME402590	1.06	0.94
13(S)-HODE	ME402627	1.06	0.94
9-Oxononanoic acid	ME402646	1.06	0.94
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	ME402615	1.04	0.96
Adenosine	ME402542	1.05	0.95
Octadecanoic acid (stearic acid)	ME402611	1.05	0.95
Sedoheptulose 1-phosphate	ME402578	1.10	0.90
gamma-L-Glutamyl-L-cysteine	ME402584	1.10	0.90
Hexadecanoic acid (palmitic acid)	ME402610	1.10	0.90
S-Acylglutathione	ME402645	1.08	0.92
Prostaglandin A2	ME402628	1.08	0.92
D-Fructose 1-6-bisphosphate	ME402562	1.08	0.92
D-Glucose 6-phosphate	ME402561	1.08	0.92
L-Noradrenaline	ME402647	1.09	0.91
Methylenediurea	ME402634	1.09	0.91
Docosahexaenoic acid	ME402619	1.03	0.97
Hexanoic acid (caproate)	ME402603	1.02	0.98
CMP-N-acetylneuraminate	ME402589	1.01	0.99
Shikimate 3-phosphate	ME402639	1.01	0.99
N6-Methyl-L-lysine	ME402638	0.97	1.03
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME402563	0.98	1.02
Eicosapentaenoic acid	ME402621	0.98	1.02
S-Adenosyl-L-homocysteine	ME402585	0.99	1.01
Thymine	ME402550	1.00	1.00
2-Methyleneglutarate	ME402632	1.26	0.74
Cytidine	ME402548	1.25	0.75
UDP-glucose	ME402558	1.23	0.77
Decanoic acid (capric acid)	ME402607	1.24	0.76
Glucosinolate	ME402643	1.24	0.76
CDP-choline	ME402600	1.32	0.68
Leukotriene A4	ME402630	1.31	0.69
Tetradecenoic acid (myristoleic acid)	ME402612	1.29	0.71
Hexadecenoic acid (Palmitoleic acid)	ME402613	1.27	0.73
Dodecanoic acid (lauric acid)	ME402608	1.28	0.72
Tetradecanoic acid (myristic acid)	ME402609	1.28	0.72
Thymidine	ME402549	1.12	0.88
trans-4-Hydroxy-L-proline	ME402593	1.13	0.87
Octadecenoic acid (Oleic acid)	ME402614	1.13	0.87
D-Glucose	ME402560	1.13	0.87
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid)	ME402622	1.13	0.87
Mannitol	ME402568	1.14	0.86
Arachidonic acid (Eicosatetraenoic acid)	ME402617	1.14	0.86
Maltose	ME402567	1.14	0.86
Citrate	ME402570	1.15	0.85
N-Acetylneuraminate	ME402587	1.15	0.85
Leucocyanidin	ME402633	1.21	0.79
Succinate	ME402573	1.21	0.79
a-Linolenic acid (Octadecatrienoic acid)	ME402616	1.17	0.83
Prostaglandin D2/Thromboxane A2 (isobars)	ME402629	1.17	0.83
Undecanoic acid	ME402624	1.18	0.82
UDP-N-acetyl-D-glucosamine	ME402588	1.19	0.81
CDP	ME402546	1.19	0.81
Nonanoic acid (pelargonic acid)	ME402606	1.19	0.81

Factors:

F1	line:NCI-ADR-RES
F2	line:OVCAR8

Data matrix