Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolite signatures in trauma patients with venous thromboembolism (VTE) (Study ST000552)

Reversed phase POSITIVE ION MODE (Analysis AN000843)

Metabolite	Structure	F1	F2
Levofloxacin	ME165752	0.00	1.50
Syringic Acid	ME165845	0.32	1.91
THIAMINE	ME165861	0.17	2.11
Taurodeoxycholic Acid (T-DCA)_R4	ME165856	1.61	0.27
Taurocholic acid (TCA)_R2	ME165850	1.69	0.54
3-(Hydroxyphenyl) Propionic Acid	ME165649	1.37	0.63
Glycocholic Acid (GCA)_R2	ME165724	1.38	0.62
Glycodeoxycholic acid (GDCA)	ME165729	1.39	0.58
Taurocholic acid (TCA)_R3	ME165851	1.40	0.60
Chenodeoxycholyglycine (GCDCA)_R3	ME165693	1.40	0.60
Isovalerylcarnitine	ME165743	1.40	0.60
Taurocholic acid_R1	ME165847	1.47	0.58
Taurocholic acid (TCA)_R1	ME165849	1.43	0.57
Taurodeoxycholic Acid (T-DCA)_R2	ME165854	1.53	0.44
Taurodeoxycholic Acid (T-DCA)_R6	ME165858	1.53	0.42
Taurodeoxycholic Acid (T-DCA)_R5	ME165857	1.49	0.41
Taurodeoxycholic Acid (T-DCA)_R3	ME165855	1.49	0.44
Taurodeoxycholic Acid (T-DCA)_R7	ME165859	1.48	0.46
Taurocholic acid_R2	ME165848	1.54	0.55
6C-SUGAR ALCOHOL	ME165670	1.49	0.51
THREONINE/HOMOSERINE_R2	ME165863	1.48	0.52
QUINATE	ME165835	1.14	0.86
N-ACETYL-DL-SERINE_R2	ME165800	1.14	0.86
N-Methylnicotinamide	ME165814	1.14	0.86
PYRIDOXINE	ME165833	1.12	0.88
5-AMINOLEVULINIC ACID_R3	ME165664	1.13	0.87
L-Acetylcarnitine	ME165746	1.13	0.87
N-ACETYL-DL-GLUTAMIC ACID	ME165798	1.09	0.91
Glycoursodeoxycholic acid (G-UDCA)_R5	ME165734	1.10	0.88
CREATINE	ME165699	1.10	0.90
PHOSPHOCHOLINE	ME165828	1.11	0.89
N-Acetyl-Arginine	ME165797	1.11	0.89
L-(+)-Lactic Acid	ME165745	1.11	0.89
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE	ME165680	1.11	0.89
BETAINE	ME165684	1.11	0.89
Taurocholic acid (TCA)_R4	ME165852	1.16	0.78
5-AMINOLEVULINIC ACID_R2	ME165663	1.17	0.83
DL-5-HYDROXYLYSINE	ME165711	1.16	0.83
D-(+)-GALACTOSAMINE	ME165702	1.18	0.82
UROCANATE	ME165873	1.19	0.81
INDOLE-3-ACETATE	ME165740	1.31	0.69
Chenodeoxycholyglycine (GCDCA)_R1	ME165691	1.27	0.73
Taurodeoxycholic Acid (T-DCA)_R1	ME165853	1.21	0.78
4-AMINOBUTANOATE (GABA)	ME165657	1.23	0.77
Kynurenic Acid	ME165744	1.23	0.77
Valerylcarnitine	ME165874	1.25	0.75
Chenodeoxycholyglycine (GCDCA)_R2	ME165692	1.24	0.75
(R)-MALATE	ME165640	1.24	0.76
TRANS-CINNAMATE	ME165865	1.03	0.97
TAURINE	ME165846	1.03	0.97
Sphingosine (d18:1)	ME165840	1.03	0.97
SPERMINE	ME165839	1.03	0.97
N-ACETYL-L-ALANINE	ME165803	1.03	0.97
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	ME165772	1.03	0.97
L-Tryptophan-NH3	ME165770	1.03	0.97
L-Tryptophan	ME165769	1.03	0.97
L-KYNURENINE	ME165757	1.03	0.97
Choline	ME165694	1.03	0.97
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME165643	1.03	0.97
5-hydroxyindoleacetic acid	ME165665	1.03	0.97
URACIL	ME165870	1.04	0.96
THYMINE	ME165864	1.04	0.96
THREONINE/HOMOSERINE_R1	ME165862	1.04	0.96
NICOTINAMIDE	ME165812	1.04	0.96
N-BOC-L-Tryptophan_R2	ME165811	1.04	0.96
N-BOC-L-Tryptophan_R1	ME165810	1.04	0.96
LysoPC (18:2)_R1	ME165781	1.04	0.96
LysoPC (16:0)_R3	ME165775	1.04	0.96
L-PROLINE	ME165767	1.04	0.96
L-LEUCINE	ME165759	1.04	0.96
DIHYDROXYACETONE PHOSPHATE	ME165706	1.04	0.96
2-Hydroxyphenylalanine	ME165646	1.04	0.96
4-HYDROXY-L-PHENYLGLYCINE	ME165659	1.04	0.96
N-ACETYL-L-ASPARTIC ACID	ME165804	1.07	0.93
N-METHYL-D-ASPARTIC ACID	ME165813	1.07	0.93
Trigonelline	ME165867	1.06	0.94
L-LYSINE	ME165762	1.06	0.94
L-Isoleucine	ME165756	1.06	0.94
CITRULLINE	ME165698	1.06	0.94
Acyl-Carnitine(5-OH)	ME165675	1.06	0.94
BUTYROBETAINE	ME165688	1.06	0.94
Glycoursodeoxycholic acid (G-UDCA)_R4	ME165733	1.05	0.94
Pyroglutamic Acid	ME165834	1.05	0.95
Proprionylcarnitine	ME165830	1.05	0.95
Methionine Sulfoxide	ME165789	1.05	0.95
LysoPE (18:0)	ME165784	1.05	0.95
LysoPC (18:0)_R1	ME165779	1.05	0.95
L-CARNITINE	ME165749	1.05	0.95
5-HYDROXY-L-TRYPTOPHAN	ME165666	1.05	0.95
5-METHYLCYTOSINE HYDROCLORIDE	ME165669	1.05	0.95
URIDINE	ME165872	0.98	1.02
SUCCINATE	ME165843	0.98	1.02
Palmitoleic acid	ME165823	0.98	1.02
Octanoylcarnitine	ME165817	0.98	1.02
LysoPC (16:1)_R2	ME165778	0.98	1.02
L-Leucine 13C6	ME165760	0.98	1.02
GLUCOSAMINE/MANNOSAMINE_R1	ME165717	0.98	1.02
Acetaminophen/Paracetamol_R1	ME165673	0.98	1.02
3-HYDROXYANTHRANILIC ACID	ME165654	0.98	1.02
5-Hydroxymethyl-2-furaldehyde	ME165667	0.98	1.02
Stachydrine_R1	ME165841	0.96	1.04
LysoPE (18:1)	ME165785	0.96	1.04
1,2-Benzisothiazolin-3-one	ME165641	0.96	1.04
LL-2,6-DIAMINOHEPTANEDIOATE	ME165758	0.96	1.04
SPERMIDINE	ME165838	0.97	1.03
PIPECOLATE/L-PIPECOLIC ACID	ME165829	0.97	1.03
Pantothenic Acid	ME165824	0.97	1.03
ORNITHINE	ME165822	0.97	1.03
L-METHIONINE_R1	ME165763	0.97	1.03
D-GLUCOSAMINE 6-PHOSPHATE	ME165704	0.97	1.03
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)	ME165642	0.97	1.03
Decanoylcarnitine	ME165703	0.97	1.03
URATE	ME165871	0.99	1.01
Triethyl phosphate	ME165866	0.99	1.01
Tetrahydrothiophene-1-oxide	ME165860	0.99	1.01
N-BOC-L-tert-Leucine	ME165809	0.99	1.01
N-BOC-L-Aspartic Acid	ME165808	0.99	1.01
L-Phenylalanine 13C6	ME165766	0.99	1.01
L-GLUTAMINE	ME165753	0.99	1.01
Glycoursodeoxycholic acid (G-UDCA)_R3	ME165732	0.99	1.01
Galaxolidone	ME165714	0.99	1.01
Diphenylamine	ME165707	0.99	1.01
Creatine-D3	ME165700	0.99	1.01
Camphor	ME165690	0.99	1.01
Anthranilate	ME165681	0.99	1.01
3,4-Dimethylbenzoic acid	ME165650	0.99	1.01
ALANINE/SARCOSINE	ME165677	0.99	1.01
Tryptophan-2,3,3-D3	ME165868	1.00	1.00
PHENETHYLAMINE	ME165826	1.00	1.00
N(PAI)-METHYL-L-HISTIDINE	ME165794	1.00	1.00
Monobutyl phthalate	ME165792	1.00	1.00
METHYL JASMONATE	ME165791	1.00	1.00
LysoPC (16:0)_R2	ME165774	1.00	1.00
L-Tyrosine 13C6	ME165771	1.00	1.00
L-Leucine-D10	ME165761	1.00	1.00
L-HISTIDINE	ME165754	1.00	1.00
Isobutyrylcarnitine	ME165742	1.00	1.00
Dibutyl phthalate	ME165705	1.00	1.00
CREATININE	ME165701	1.00	1.00
Caffeine-D3	ME165689	1.00	1.00
ALLANTOIN	ME165679	1.00	1.00
3,5-Di-tert-butylbenzaldehyde	ME165651	1.00	1.00
ADENINE	ME165676	1.00	1.00
Tryptophan-2,3,3-D3-NH3	ME165869	1.01	0.99
PYRIDINE-2,3-DICARBOXYLATE	ME165831	1.01	0.99
N-ALPHA-ACETYL-L-LYSINE	ME165807	1.01	0.99
N-ACETYL-L-LEUCINE	ME165805	1.01	0.99
LysoPC (16:0)_R4	ME165776	1.01	0.99
L-CYSTEIC ACID	ME165751	1.01	0.99
L-ARGININE	ME165747	1.01	0.99
HYPOXANTHINE	ME165739	1.01	0.99
Glycerophosphocholine	ME165721	1.01	0.99
Dipropyl phthalate	ME165708	1.01	0.99
Dipropyleneglycol dibenzoate	ME165710	1.01	0.99
BOC-L-Tyrosine	ME165687	1.01	0.99
BOC-D-Phenylalanine	ME165686	1.01	0.99
5,6-DIHYDROURACIL	ME165661	1.01	0.99
ASPARTATE_R1	ME165682	1.01	0.99
Phenylalanine-HCOOH	ME165827	1.02	0.98
N-ACETYL-DL-SERINE_R1	ME165799	1.02	0.98
LysoPC (16:0)_R1	ME165773	1.02	0.98
L-SERINE	ME165768	1.02	0.98
L-Phenylalanine	ME165765	1.02	0.98
L-ASPARAGINE	ME165748	1.02	0.98
6-DEOXY-HEXOSE	ME165671	1.02	0.98
CITRAMALATE	ME165695	1.02	0.98
MONO-METHYL GLUTARATE	ME165793	0.82	1.18
Hydroxyhippuric acid	ME165737	0.82	1.18
LysoPC (18:2)_R2	ME165782	0.82	1.18
SEROTONIN	ME165836	0.82	1.19
LysoPE (20:4)_R2	ME165787	0.81	1.19
Gallic Acid	ME165715	0.81	1.19
LysoPE (20:4)_R1	ME165786	0.81	1.19
O-Propionyl_L-carnitine:HCl	ME165821	0.83	1.17
O-Octanoyl-L-carnitine:HCl(N-methyl-D3)	ME165820	0.83	1.17
L-Carnitine (trimethyl-D9)	ME165750	0.83	1.17
HEXOSE-DISACCHARIDE	ME165735	0.83	1.17
3-UREIDOPROPIONATE	ME165656	0.83	1.17
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME165716	0.83	1.17
SEROTONIN-NH3	ME165837	0.84	1.16
5-AMINOLEVULINIC ACID_R1	ME165662	0.84	1.16
LysoPC (18:0)_R2	ME165780	0.84	1.16
N1-Methyl-4-pyridone-5-carboxamide	ME165796	0.77	1.23
CITRATE_R2	ME165697	0.80	1.20
O-Acetyl-Lcarnitine:HCl (N-methyl-D3)	ME165815	0.80	1.20
Iohexol	ME165741	0.79	1.22
Hypoxanthine	ME165738	0.79	1.21
CITRATE_R1	ME165696	0.79	1.21
Dipropylene glycol	ME165709	0.79	1.21
4-IMIDAZOLEACETIC ACID	ME165660	0.92	1.08
D-Ribose	ME165712	0.92	1.08
N1-Methyl-2-pyridone-5-carboxamide	ME165795	0.91	1.09
PYRIDOXAL	ME165832	0.91	1.09
GLYCEROL	ME165720	0.95	1.05
3-AMINOISOBUTANOATE	ME165652	0.95	1.05
3-HYDROXY-3-METHYLGLUTARATE	ME165653	0.95	1.05
Stachydrine_R2	ME165842	0.94	1.06
N-ACETYL-HEXOSAMINE	ME165802	0.94	1.06
LysoPC (20:4)	ME165783	0.94	1.06
Bis(2-ethylhexyl) phthalate	ME165685	0.94	1.06
3-METHOXYTYRAMINE	ME165655	0.94	1.06
ASPARTATE_R2	ME165683	0.94	1.06
Sulcatol	ME165844	0.93	1.07
N-ACETYLPUTRESCINE	ME165806	0.93	1.07
L-METHIONINE_R2	ME165764	0.93	1.07
ALDO/KETO-HEXOSE	ME165678	0.93	1.07
GLUCOSAMINE/MANNOSAMINE_R2	ME165718	0.93	1.07
O-Butyryl-L-carnitine:HCl	ME165816	0.86	1.14
GLUTARATE	ME165719	0.86	1.14
Glycocholic Acid (GCA)_R3	ME165725	0.86	1.14
Hippuric Acid	ME165736	0.85	1.15
O-Isovaleryl-L-carnitine (N,N,N-trimethyl-D9)	ME165818	0.85	1.15
2-AMINOPHENOL	ME165645	0.87	1.13
4-GUANIDINOBUTANOATE	ME165658	0.87	1.13
N-ACETYLGLYCINE	ME165801	0.88	1.12
LysoPC (16:1)_R1	ME165777	0.88	1.12
Glycocholic Acid (GCA)_R4	ME165726	0.88	1.12
Glycocholic Acid (GCA)_R6	ME165728	0.88	1.12
2-Phenylglycine	ME165647	0.90	1.10
O-Myristol-L-carnitine:HCl(N,N,N-trimethyl-D9)	ME165819	0.90	1.10
6-Quinolincarboxylic Acid	ME165672	0.89	1.11
Glycocholic Acid (GCA)_R1	ME165723	0.89	1.11
1-METHYLADENOSINE	ME165644	0.55	1.62
PEG n5	ME165825	0.36	1.64
GLYCOCHOLATE	ME165722	0.63	1.32
Acetaminophen/Paracetamol_R2	ME165674	0.66	1.34
LysoPE (22:6)	ME165788	0.68	1.32
Glycocholic Acid (GCA)_R5	ME165727	0.79	1.27
Glycoursodeoxycholic acid (G-UDCA)_R2	ME165731	0.70	1.29
Lidocaine	ME165755	0.71	1.29
Formylkynurenine	ME165713	0.73	1.27
METHYL INDOLE-3-ACETATE	ME165790	0.74	1.26
Glycoursodeoxycholic acid (G-UDCA)_R1	ME165730	0.52	1.48
3-(2-HYDROXYPHENYL)PROPANOATE	ME165648	0.60	1.40
5-Hydroxy-N-formylkynurenine	ME165668	0.59	1.41

Factors:

F1	VTE:no
F2	VTE:yes

Data matrix