Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001844)

(Analysis AN002987)

Metabolite	Structure	F1	F2
1,2-Dilinoleoyl-glycero-3-phosphoethanolamine	ME425720	2.95	0.05
3-Hydroxyoleylcarnitine	ME425785	2.95	0.05
2-Docosahexaenoyl-1-stearoyl-glycero-3-phosphoethanolamine	ME425766	2.96	0.04
2-Linoleoyl-1-palmitoyl-glycero-3-phosphoethanolamine	ME425770	2.96	0.04
1-Stearoyl-2-arachidonoyl-glycero-3-phosphoserine	ME425755	3.04	0.01
epsilon-Caprolactam	ME425888	2.98	0.04
2-Docosahexaenoyl-1-palmitoyl-glycero-3-phosphoethanolamine	ME425765	2.99	0.03
Inosine	ME425936	2.99	0.03
Adenosine	ME425815	3.02	0.02
1-Palmitoyl-2-arachidonoyl-glycero-3-phosphoserine	ME425746	3.01	0.02
2-Oleoyl-1-stearoyl-glycero-3-phosphoserine	ME425773	3.01	0.02
2-Oleoyl-1-palmitoyl-glycero-3-phosphoserine	ME425772	3.00	0.02
Monoelaidin	ME425963	3.00	0.02
1-Palmitoyl-2-oleoyl-glycero-3-phosphoethanolamine	ME425750	2.90	0.07
Guanosine	ME425917	2.91	0.07
L-Arachidonoylcarnitine	ME425944	2.91	0.07
3-Hydroxyhexadecanoylcarnitine	ME425784	2.87	0.09
Citalopram	ME425852	2.88	0.08
Betaine aldehyde cation	ME425839	2.89	0.08
Thiamine cation	ME426049	2.89	0.08
Nicotinamide riboside cation	ME425991	2.79	0.13
1-Stearoyl-2-arachidonoyl-glycero-3-phospho-(1^-myo-inositol)	ME425754	2.81	0.11
Adipoyl-L-carnitine	ME425816	2.83	0.11
1-Oleoyl-2-hydroxy-glycero-3-phospho-(1^-rac-glycerol)	ME425742	2.84	0.10
Stearoyl-L-carnitine	ME426040	2.84	0.10
6-Hydroxycoumarin	ME425806	2.74	0.00
Cefazolin	ME425848	2.70	0.00
Adenine	ME425814	2.76	0.14
1,2-Dioleoyl-3-trimethylammoniumpropane cation	ME425721	2.75	0.14
Desmethylcitalopram	ME425867	2.75	0.14
Oleoyl-L-carnitine	ME426005	2.73	0.15
Guanine	ME425916	2.72	0.16
Palmitoylcarnitine	ME426012	2.73	0.16
Atorvastatin	ME425832	2.63	0.21
Linoleoylcarnitine	ME425948	2.67	0.19
Ondansetron	ME426008	2.66	0.19
DL-Laudanosine	ME425886	2.70	0.17
Hypoxanthine	ME425930	2.68	0.18
S-(5^-Adenosyl)-L-homocysteine	ME426033	2.69	0.18
Castanospermine	ME425847	2.20	0.41
Creatine	ME425857	2.20	0.41
Choline [M]+	ME425851	2.22	0.40
Cyclobenzaprine	ME425859	2.22	0.41
Glycocholic acid	ME425911	2.24	0.40
Cytidine 5^-diphosphocholine	ME425862	2.26	0.39
GMP	ME425913	2.26	0.38
1-Oleoyl-2-myristoyl-glycero-3-phosphocholine	ME425743	2.09	0.47
1-Stearoyl-2-myristoyl-glycero-3-phosphocholine	ME425760	2.10	0.46
3-Amino-3-(4-fluorophenyl)propionic acid	ME425778	2.11	0.46
Glutamic acid	ME425906	2.14	0.44
Melezitose	ME425954	2.15	0.44
UMP	ME426068	2.18	0.43
Choline	ME425850	2.17	0.43
Histamine	ME425925	2.17	0.43
Taurocholic acid	ME426042	2.30	0.37
Metoclopramide	ME425959	2.32	0.36
3-Cysteinylacetaminophen	ME425781	2.31	0.36
Guanidinosuccinic acid	ME425915	2.31	0.36
Phosphocholine	ME426019	2.33	0.35
Glycerophosphocholine	ME425910	2.34	0.35
Myristoyl-L-carnitine	ME425967	2.34	0.35
1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphoethanolamine	ME425717	2.37	0.33
3alpha,4beta,3alpha-Galactotetraose	ME425775	2.35	0.34
Phosphotyrosine	ME426020	2.36	0.34
Anisatin	ME425829	2.36	0.34
Lumichrome	ME425951	2.36	0.34
1-Palmitoyl-2-oleoyl-glycerol	ME425751	2.57	0.23
Inosine-5^-monophosphate	ME425937	2.57	0.24
beta-Nicotinamide adenine dinucleotide	ME425840	2.56	0.24
FAD	ME425896	2.56	0.24
N-Acetyl-D-norleucine	ME425979	2.53	0.25
Norvaline, 5-phosphono-	ME426000	2.51	0.27
1-Heptanamine	ME425729	2.41	0.31
gamma-Glutamylleucine	ME425903	2.39	0.32
N-Acetylneuraminic acid	ME425984	2.49	0.27
Tri-2-ethylhexyl trimellitate	ME426057	2.48	0.28
Dihydrosphingosine B	ME425877	2.48	0.28
Riboflavin	ME426032	2.48	0.28
Cytidine	ME425861	2.43	0.30
3-Hydroxybutyrylcarnitine	ME425783	2.44	0.30
Cotinine N-beta-D-glucuronide	ME425856	2.44	0.30
Clindamycin	ME425854	2.46	0.29
Metoprolol	ME425960	2.45	0.29
N-Acetyl-D-glucosamine	ME425977	2.45	0.29
1-Myristoyl-glycero-3-phosphocholine	ME425740	0.06	1.46
1-(1Z-Hexadecenyl)-glycero-3-phosphocholine	ME425715	0.05	1.46
DL-2-Methylglutamic acid	ME425884	0.05	1.46
7alpha-Hydroxy-3-oxo-4-cholestenoic acid	ME425807	0.03	1.47
Theophylline	ME426048	0.03	1.47
TMAO	ME426053	0.04	1.47
Caffeine	ME425843	0.04	1.47
Decanoyl-L-carnitine	ME425864	0.04	1.47
1-Stearoyl-2-hydroxy-glycero-3-phosphocholine	ME425758	0.10	1.44
Biliverdin	ME425841	0.09	1.44
N-Acetyl-L-glutamine	ME425982	0.09	1.44
Ethylenediaminetetraacetic acid	ME425894	0.07	1.46
5-Aminovaleric acid	ME425801	0.07	1.45
Octanoylcarnitine	ME426003	0.08	1.45
N-Methylproline	ME425995	0.08	1.45
1-Oleoyl-glycero-3-phosphocholine	ME425744	0.08	1.45
4H-3,1-Benzoxazin-4-one, 6-methyl-2-[(4-methylphenyl)amino]-	ME425791	0.08	1.45
N-(4-Piperidinyl)acetamide	ME425970	0.29	1.35
Gabapentin	ME425898	0.29	1.35
1-Hexadecyl-glycero-3-phosphocholine	ME425733	0.29	1.35
DL-Indole-3-lactic acid	ME425885	0.29	1.35
Metformin	ME425956	0.28	1.35
Stearoyl ethanolamide	ME426039	0.28	1.35
1-O-Hexadecyl-2-O-acetyl-glyceryl-3-phosphorylcholine	ME425741	0.23	1.38
Hippuric acid	ME425923	0.23	1.37
Sclareolide	ME426035	0.23	1.37
Pro-Leu	ME426024	0.25	1.37
Glutathione (reduced)	ME425908	0.25	1.37
Metoprolol acid	ME425961	0.25	1.37
N-(2,4-Dinitrophenyl)-DL-threonine	ME425968	0.24	1.38
Diethylene glycol monoethyl ether	ME425875	0.24	1.37
1-(1Z-Octadecenyl)-glycero-3-phosphocholine	ME425719	0.24	1.37
1-Methylhistidine	ME425739	0.24	1.37
Creatinine	ME425858	0.13	1.42
1-Pentadecanoyl-glycero-3-phosphocholine	ME425753	0.12	1.43
Indole-6-carboxaldehyde	ME425935	0.12	1.43
Omeprazole sulfone	ME426007	0.16	1.41
3-Indoleacetic acid	ME425786	0.15	1.41
Tyr-Arg-Gly-Asp-Ser	ME426066	0.15	1.41
Temazepam glucuronide	ME426044	0.18	1.38
D-erythro-Sphingosine-1-phosphate	ME425865	0.17	1.40
Stachydrine	ME426038	0.18	1.40
1-Palmitoyl-glycero-3-phosphocholine	ME425752	0.18	1.40
Fosamine	ME425897	0.18	1.40
Glufosinate	ME425904	0.19	1.40
H-Pro-Hyp-OH A	ME425929	0.19	1.39
Cotinine	ME425855	0.74	1.13
N-Acetyl-D-lactosamine	ME425978	0.74	1.13
2-Hydroxychalcone	ME425768	0.76	1.12
Securinine	ME426036	0.75	1.12
Monoethyl phthalate	ME425964	0.75	1.12
Palmitoyl sphingomyelin	ME426011	0.75	1.12
Allothreonine	ME425820	0.80	1.10
Monoisobutyl phthalate	ME425965	0.80	1.10
N-Acetylhistidine	ME425980	0.78	1.11
9-Oxo-10(E),12(E)-octadecadienoic acid	ME425808	0.78	1.11
1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphocholine	ME425716	0.78	1.11
2-Amino-3-methoxybenzoic acid	ME425764	0.78	1.11
Trazodone	ME426056	0.77	1.11
Proline (2)	ME426026	0.77	1.11
Pro-Ala	ME426023	0.77	1.11
Benzothiazole	ME425834	0.77	1.11
Erucamide	ME425890	0.77	1.11
Erythromycin	ME425891	0.63	1.18
Proline	ME426025	0.62	1.18
3-Cyclohexyl-1,1-dimethylurea	ME425780	0.60	1.20
N-Acetyl-L-carnosine	ME425981	0.61	1.19
Trigonelline	ME426063	0.61	1.19
N-epsilon-Acetyllysine	ME425990	0.72	1.14
Thr-Arg	ME426050	0.71	1.14
1-Methyladenosine B	ME425738	0.71	1.14
Gabapentin related compound A	ME425899	0.71	1.14
1-Hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphocholine	ME425731	0.68	1.16
N-alpha-Methyl-L-lysine	ME425986	0.68	1.16
Quinaldic acid	ME426028	0.68	1.15
Di(3,7-dimethyl-1-octyl) phthalate	ME425870	0.69	1.15
Ketamine	ME425940	0.69	1.15
Norleucine	ME425998	0.66	1.16
4-Methyl-3-nitrobenzoic acid	ME425798	0.66	1.17
Acetaminophen sulfate	ME425810	0.66	1.18
Galacto-N-biose	ME425900	0.32	1.33
Indole-3-propionic acid	ME425934	0.33	1.33
Piperine	ME426022	0.35	1.32
Betaine	ME425838	0.34	1.32
Glutathione, oxidized	ME425909	0.34	1.32
Citrulline	ME425853	0.33	1.32
Diazepam	ME425871	0.33	1.31
Isovaleryl-L-carnitine	ME425939	0.37	1.31
Diethylene glycol	ME425874	0.37	1.31
DL-2-Aminocaprylic acid	ME425883	0.37	1.31
trans-Zeatin	ME426055	0.36	1.31
N-Acetylcytidine	ME425976	0.36	1.31
N-Methyl-gamma-oxo-3-pyridinebutanamide	ME425993	0.36	1.31
3-Methylhistidine	ME425787	0.40	1.29
N-Acetyl-S-geranylgeranyl-L-cysteine	ME425985	0.38	1.30
Benzyldimethylstearylammonium cation	ME425835	0.39	1.30
Tridodecylmethylammonium cation	ME426059	0.39	1.30
N-Oleoyl-D-erythro-sphingosylphosphorylcholine	ME425997	0.47	1.26
N-Desmethylmirtazapine	ME425988	0.47	1.26
10-Methylundecanoic acid	ME425723	0.47	1.26
5,6-Dimethylbenzimidazole	ME425800	0.47	1.26
N-Methyllysine	ME425994	0.46	1.26
Glutamine	ME425907	0.46	1.26
Lauroyl-L-carnitine	ME425946	0.46	1.26
D-alpha-Cyclohexylglycine	ME425863	0.48	1.26
D-Pyroglutamic acid	ME425887	0.49	1.25
3-Aminoquinoline	ME425779	0.45	1.27
Omeprazole sulfide	ME426006	0.45	1.27
Isoleucine	ME425938	0.44	1.27
Phenylacetyl-L-glutamine	ME426016	0.44	1.27
Arginine	ME425830	0.42	1.28
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl ester	ME425844	0.43	1.28
Hexanoyl-L-carnitine	ME425922	0.43	1.28
L-Lysine	ME425949	0.51	1.24
2^-Hydroxy-beta-naphthoflavone	ME425767	0.50	1.24
4-Hydroxyhippuric acid	ME425794	0.50	1.24
Phe-Phe	ME426018	0.53	1.23
Homoarginine	ME425928	0.53	1.23
5-Oxo-1-propyl-2-pyrrolidineacetic acid	ME425803	0.53	1.23
6-Aminocaproic acid	ME425805	0.53	1.23
L-Citrulline	ME425947	0.52	1.23
3,4-Dimethylbenzaldehyde	ME425774	0.52	1.24
Lamotrigine	ME425943	0.52	1.24
4,5,7-Trihydroxyisoflavone	ME425789	0.58	1.24
1H-Indole-3-carboxylic acid, 1-pentyl-	ME425736	0.58	1.20
Methacholine cation	ME425957	0.57	1.21
Tyrosine	ME426067	0.56	1.21
4-Hydroxyvalsartan	ME425796	0.55	1.22
Nudifloramide	ME426002	0.55	1.22
Dimethocaine	ME425879	0.56	1.22
Kynurenic acid	ME425941	0.56	1.22
Carnosine	ME425846	1.49	0.76
beta-Alanine	ME425836	1.51	0.75
Cystine	ME425860	1.51	0.75
1-Palmitoyl-2-azelaoylphosphatidylcholine	ME425747	1.54	0.74
alpha,beta-Trehalose	ME425821	1.53	0.74
AMP	ME425825	1.57	0.72
R-(-)-O-Desmethylvenlafaxine	ME426029	1.57	0.72
Ala-Leu	ME425819	1.55	0.73
Ile-Lys	ME425931	1.56	0.73
3-Dehydrocarnitine	ME425782	1.60	0.71
4-Hydroxy-N-methyl-N-isopropyltryptamine	ME425795	1.62	0.70
Pentaethylene glycol	ME426014	1.61	0.70
1-Palmitoyl-2-docosahexaenoyl-glycero-3-phosphocholine	ME425748	1.66	0.68
Carnitine	ME425845	1.63	0.69
3alpha-Galactobiose	ME425776	1.65	0.69
N8-Acetylspermidine	ME425974	1.64	0.69
p-Acetamidophenyl beta-D-glucuronide	ME426009	1.69	0.61
1-Stearoyl-2-arachidonyl-glycero-3-phosphocholine	ME425756	1.71	0.66
L-NG-Monomethylarginine	ME425950	1.71	0.65
Ethylhexadecyldimethylammonium cation	ME425895	1.69	0.66
Taurine	ME426041	1.70	0.66
Glycodeoxycholic acid	ME425912	1.84	0.59
2-Oleoyl-1-palmitoyl-glycero-3-phosphocholine	ME425771	1.83	0.60
Desalkylebastine	ME425866	1.83	0.59
N,N-Dimethylarginine	ME425972	1.78	0.62
Ala-Ile	ME425818	1.78	0.62
Ergothioneine	ME425889	1.78	0.62
1-Hexadecanoyl-2-octadecadienoyl-glycero-3-phosphocholine	ME425730	1.81	0.60
Glu-Gly-Arg	ME425905	1.80	0.61
Acetyl-DL-carnitine	ME425813	1.80	0.61
(-)-Ephedrine	ME425713	1.80	0.61
Pantothenic acid	ME426013	1.94	0.54
Diphenhydramine	ME425882	1.88	0.57
(-)-Pseudoephedrine	ME425714	1.91	0.55
rac-Didemethylcitalopram	ME426031	1.90	0.56
5^-S-Methyl-5^-thioadenosine	ME425804	1.97	0.53
Pyroglutamic acid	ME426027	1.99	0.52
Tauroursodeoxycholic acid	ME426043	2.00	0.51
1-Stearoyl-2-linoleoyl-glycero-3-phosphoethanolamine	ME425759	2.05	0.49
Heptadecasphing-4-enine	ME425918	2.02	0.50
Monoolein	ME425966	1.02	0.99
4-Imidazoleacrylic acid	ME425797	1.02	0.99
Benzenemethanol, alpha-[1-(ethylamino)ethyl]-	ME425833	1.02	0.99
N-(3-(Aminomethyl)benzyl)acetamidine	ME425969	1.03	0.99
N-(Octadecanoyl)sphing-4-enine-1-phosphocholine	ME425971	1.03	0.99
Triethylhexyammonium cation	ME426062	1.01	0.99
Rabenzazole	ME426030	1.01	1.00
Tetradecylamine	ME426045	1.01	1.00
1-Kestose	ME425737	1.03	0.98
3alpha-Mannobiose	ME425777	1.04	0.98
4-Hydroxybenzoic acid	ME425793	1.04	0.98
Phe-Arg	ME426015	1.05	0.98
Tris(2-butoxyethyl) phosphate	ME426065	1.05	0.97
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(5-fluoropentyl)-	ME425735	1.06	0.97
Diisopropylethylamine	ME425878	1.06	0.97
alpha-L-Glu-Gly	ME425822	1.12	0.94
1-Hexadecylamine	ME425732	1.12	0.94
5-Ketoprostaglandin E1	ME425725	1.12	0.94
Memantine	ME425955	1.13	0.94
Norvaline	ME425999	1.13	0.94
Dimethyldioctadecylammonium cation	ME425880	1.09	0.96
Palmitamide	ME426010	1.08	0.96
alpha-Tocopherol	ME425823	1.08	0.96
Dibutyl phthalate	ME425872	1.08	0.96
Phthalic acid	ME426021	1.11	0.95
N-Docosanoyl-4-sphingenyl-1-O-phosphorylcholine	ME425989	1.09	0.95
16,16-Dimethylprostaglandin A2	ME425726	1.10	0.95
N-Methylanthranilic acid	ME425992	1.10	0.95
Asparagine	ME425831	0.93	1.03
Tributyl phosphate	ME426058	0.94	1.03
D-Fructose	ME425868	0.94	1.03
N2,N2-Dimethylguanosine	ME425973	0.94	1.03
1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-glycero-3-phosphocholine	ME425718	0.92	1.04
N-Benzylglycine methyl ester	ME425987	0.93	1.04
His-Ala	ME425924	0.96	1.02
7-Epioxandrolone	ME425727	0.95	1.02
Acetylcholine cation	ME425812	0.95	1.02
Acetaminophen	ME425809	0.99	1.01
Histatin 5	ME425926	0.97	1.02
Androstenedione	ME425827	0.97	1.02
Heptadecasphinganine	ME425919	0.97	1.02
Tetrapentylammonium cation	ME426047	0.97	1.01
1-Heptadecanoyl-glycero-3-phosphocholine	ME425728	0.97	1.01
5-Cholesten-3-beta-7-alpha-diol	ME425802	0.97	1.01
trans-Nicotine-1^-oxide	ME426054	0.98	1.01
alpha-Tocopherol (2)	ME425824	0.98	1.01
Thromboxane B3	ME426052	0.98	1.01
Didodecyl 3,3^-thiodipropionate	ME425873	0.85	1.07
Phenylglyoxylic acid	ME426017	0.85	1.07
Guanidine	ME425914	0.84	1.08
4-Nitrobenzylamine	ME425799	0.83	1.08
Histidine	ME425927	0.83	1.08
20-Hydroxyarachidonic acid	ME425763	0.88	1.06
Tetraethylene glycol	ME426046	0.87	1.06
Ethyl imidazole-2-carboxylate	ME425892	0.91	1.05
Lauric acid diethanolamide	ME425945	0.91	1.05
Triethylene glycol monobutyl ether	ME426061	0.89	1.05
Dihydrodaidzein	ME425876	0.89	1.05
11,15-Dioxo-9S-hydroxy-5Z-prostenoic acid	ME425724	0.89	1.05
Androsterone	ME425828	0.89	1.05
Methyl jasmonate	ME425958	0.90	1.05
Tripropylene glycol	ME426064	0.90	1.05
Ile-Pro-Lys	ME425932	1.42	0.79
gamma-glutamyl-glutamine	ME425902	1.42	0.80
2-(5-Oxovaleryl)phosphatidylcholine	ME425761	1.41	0.80
Indigotin	ME425933	1.41	0.80
Hexadecyltrimethylammonium cation	ME425920	1.45	0.78
1,2-dioleoyl-glycero-3-phosphatidylcholine	ME425722	1.44	0.79
Acetylcarnitine	ME425811	1.44	0.79
Thr-Glu-Arg	ME426051	1.33	0.84
Ethyldiethanolamine	ME425893	1.33	0.84
O-Desmethylvenlafaxine	ME426004	1.33	0.84
Amphetamine	ME425826	1.35	0.83
Spermidine A	ME426037	1.34	0.83
1-Stearoyl-2-docosahexaenoyl-glycero-3-phosphocholine	ME425757	1.39	0.81
2,2-Dimethylsuccinic acid	ME425762	1.36	0.82
N-Acetyl-5-hydroxytryptamine	ME425975	1.37	0.82
Bis(2-ethylhexyl) adipate	ME425842	1.37	0.82
1-Palmitoyl-2-glutaryl phosphatidylcholine	ME425749	1.37	0.82
beta-Gentiobiose	ME425837	1.37	0.82
Mono-2-ethylhexyl phthalate	ME425962	1.21	0.90
3-Pyridylacetic acid	ME425788	1.20	0.90
4-Hydroxy-4-methyl-2-pentanone	ME425792	1.20	0.90
Maltotetraose	ME425952	1.17	0.92
Ala-Arg	ME425817	1.17	0.92
Galactosamine	ME425901	1.17	0.92
Di(2,6-dimethyl-4-heptyl) phthalate	ME425869	1.19	0.91
N-Acetyl-L-tyrosine	ME425983	1.19	0.91
N-Nervonoyl-D-erythro-sphingosylphosphorylcholine	ME425996	1.18	0.91
S-Adenosyl-L-methionine	ME426034	1.18	0.91
Hexaethylene glycol	ME425921	1.31	0.85
1-Hexadecylpyridinium cation	ME425734	1.29	0.86
Maltotriose	ME425953	1.29	0.86
1-Oleoyl-glycero-3-phosphoethanolamine	ME425745	1.26	0.87
Cellotetraose	ME425849	1.27	0.87
Lactose B	ME425942	1.23	0.89
2-Imino-4-methylpiperidine	ME425769	1.24	0.88
Dioctyl Phthalate	ME425881	1.24	0.88
Triethanolamine	ME426060	1.25	0.88
4-Guanidinobutyric acid	ME425790	1.25	0.88
N-Phthalyl-L-tryptophan	ME426001	1.25	0.88

Factors:

F1	organ:Liver
F2	organ:Plasma

Data matrix