Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Heatshock response of C. elegans using IROA (I) (Study ST000040)

MS negative ion mode (Analysis AN000061)

Metabolite	Structure	F1	F2	F3	F4
Mevalonic acid	ME645931	0.02	0.70	0.05	3.23
Glycerol tributanoate	ME645866	0.27	3.19	0.15	0.40
LysoPE(0:0/14:1(9Z))	ME645917	1.33	0.67	NA	NA
Prunasin	ME645972	1.32	0.68	NA	NA
ascr18	ME645822	0.44	1.56	NA	NA
L-Threonine	ME645909	0.49	1.51	NA	NA
CDP-Ethanolamine	ME645829	0.56	1.44	NA	NA
Fumaric acid	ME645857	0.58	1.42	NA	NA
L-Coprine	ME645897	0.58	1.42	NA	NA
L-Asparagine	ME645894	0.62	1.38	NA	NA
L-Proline	ME645908	0.66	1.34	NA	NA
Pyrrole-2-carboxylic acid	ME645978	0.65	1.35	NA	NA
5-L-Glutamyl-L-alanine	ME645798	0.73	1.27	NA	NA
Succinic anhydride	ME645988	0.73	1.27	NA	NA
Dihydrothymine	ME645846	0.68	1.32	NA	NA
Octafluorocyclobutane	ME645955	0.70	1.30	NA	NA
S-Adenosylhomocysteine	ME645982	0.96	1.04	NA	NA
5^-Methylthioadenosine	ME645799	0.95	1.05	NA	NA
Retinyl ester	ME645979	0.95	1.05	NA	NA
Metaxalone	ME645928	0.90	1.10	NA	NA
LysoPC(14:0)	ME645913	0.90	1.10	NA	NA
Flavin Mononucleotide	ME645853	0.90	1.10	NA	NA
Isoxanthopterin	ME645888	0.90	1.10	NA	NA
3-Hydroxyanthranilic acid	ME645786	0.88	1.12	NA	NA
Nebularine	ME645948	0.88	1.12	NA	NA
Uridine diphosphate glucose	ME646003	0.89	1.11	NA	NA
LysoPC(15:0)	ME645915	0.89	1.11	NA	NA
Sarmentosin	ME645983	0.89	1.11	NA	NA
Fagomine	ME645852	0.94	1.06	NA	NA
Arachidonic acid	ME645818	0.93	1.07	NA	NA
Biotin	ME645827	0.93	1.07	NA	NA
Oxitriptan	ME645959	0.92	1.08	NA	NA
8-Hydroxy-7-methylguanine	ME645803	0.92	1.08	NA	NA
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME645926	0.92	1.08	NA	NA
trans-Cinnamic acid	ME645995	0.91	1.09	NA	NA
Sepiapterin	ME645986	0.91	1.09	NA	NA
beta-D-3-Ribofuranosyluric acid	ME645825	0.91	1.09	NA	NA
LysoPE(0:0/14:0)	ME645916	0.91	1.09	NA	NA
Pantetheine	ME645962	0.86	1.14	NA	NA
N6-Carbamoyl-L-threonyladenosine	ME645936	0.86	1.14	NA	NA
Alanyl-Isoleucine	ME645809	0.86	1.14	NA	NA
LysoPE(0:0/16:0)	ME645919	0.86	1.14	NA	NA
LysoPE(0:0/18:1(11Z))	ME645921	0.85	1.15	NA	NA
cis-Aconitic acid	ME645830	0.85	1.15	NA	NA
Dimethyl fukiic acid	ME645847	0.85	1.15	NA	NA
Uridine diphosphate-N-acetylglucosamine	ME646004	0.84	1.16	NA	NA
Prolylhydroxyproline	ME645971	0.84	1.16	NA	NA
Allocystathionine	ME645812	0.84	1.16	NA	NA
LysoPE(0:0/20:3(11Z,14Z,17Z))	ME645924	0.84	1.16	NA	NA
Riboflavin	ME645980	0.83	1.17	NA	NA
Pyroglutamic acid	ME645977	0.83	1.17	NA	NA
Cytidine monophosphate	ME645837	0.83	1.17	NA	NA
Lotaustralin	ME645906	0.83	1.17	NA	NA
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))	ME645925	0.80	1.20	NA	NA
beta-D-Glucopyranosyl anthranilate	ME645826	0.80	1.20	NA	NA
Inositol cyclic phosphate	ME645884	0.80	1.20	NA	NA
Succinic acid	ME645987	0.78	1.22	NA	NA
2-Aminobenzoic acid	ME645775	0.77	1.23	NA	NA
Diacetyl	ME645844	0.76	1.24	NA	NA
Pyridoxal 5^-phosphate	ME645976	0.76	1.24	NA	NA
Guanine	ME645870	1.04	0.96	NA	NA
D-Erythrose 4-phosphate	ME645842	1.04	0.96	NA	NA
Glutathione	ME645865	1.04	0.96	NA	NA
3-Methyladenine	ME645788	1.02	0.98	NA	NA
4-Hydroxyphenylacetylglutamine	ME645793	1.03	0.97	NA	NA
Ophthalmic acid	ME645956	1.03	0.97	NA	NA
3-(2-Hydroxyphenyl)propanoic acid	ME645782	0.99	1.01	NA	NA
Glycerylphosphorylethanolamine	ME645867	0.99	1.01	NA	NA
N-Acetylhistamine	ME645942	0.98	1.02	NA	NA
Adenine	ME645806	0.98	1.02	NA	NA
Ifosfamide	ME645880	0.98	1.02	NA	NA
Polyethylene glycol	ME645968	1.01	0.99	NA	NA
8-Hydroxyguanine	ME645804	1.01	0.99	NA	NA
L-Acetylcarnitine	ME645892	1.01	0.99	NA	NA
L-Leucine	ME645901	1.00	1.00	NA	NA
LysoPE(0:0/18:2(9Z,12Z))	ME645922	1.00	1.00	NA	NA
LysoPE(0:0/15:0)	ME645918	1.21	0.79	NA	NA
L-Methionine	ME645905	1.18	0.82	NA	NA
Wybutoxine	ME646007	1.18	0.82	NA	NA
LysoPE(0:0/16:1(9Z))	ME645920	1.14	0.86	NA	NA
Histamine	ME645873	1.12	0.88	NA	NA
N-(1-Deoxy-1-fructosyl)phenylalanine	ME645933	1.13	0.87	NA	NA
5-Thymidylic acid	ME645800	1.08	0.92	NA	NA
L-L-Homoglutathione	ME645902	1.08	0.92	NA	NA
N-Methylcalystegine C1	ME645953	1.09	0.91	NA	NA
Ornithine	ME645957	1.09	0.91	NA	NA
N-Acetyl-L-aspartic acid	ME645944	1.11	0.89	NA	NA
Dipropyl disulfide	ME645848	1.11	0.89	NA	NA
LysoPC(14:1(9Z))	ME645914	1.11	0.89	NA	NA
LysoPE(0:0/20:2(11Z,14Z))	ME645923	1.10	0.90	NA	NA
Zalcitabine	ME646010	1.10	0.90	NA	NA
L-Arginine	ME645893	0.96	1.54	0.00	0.01
Methionyl-Serine	ME645929	1.07	1.46	0.18	0.25
ascr7	ME645824	1.15	1.28	0.13	0.13
Imidazoleacetic acid riboside	ME645882	1.08	1.39	0.06	0.05
L-Histidine	ME645900	1.18	1.32	0.01	0.02
Citramalic acid	ME645831	1.98	2.06	0.99	0.50
ascr10	ME645820	0.69	2.26	0.45	0.28
Aminoadipic acid	ME645816	1.26	2.44	0.19	0.11
L-Glutamine	ME645899	1.03	1.96	0.01	0.01
icas9	ME645879	2.25	1.24	0.24	0.27
Gamma-Aminobutyric acid	ME645860	2.55	1.40	0.01	0.03
L-Tyrosine	ME645911	2.26	1.72	0.01	0.02
L-Glutamic acid	ME645898	1.77	2.23	0.00	0.00
Adenosine monophosphate	ME645808	1.85	1.91	0.01	0.23
N2-Succinyl-L-ornithine	ME645935	1.84	1.91	0.12	0.12
Nicotinic acid	ME645952	1.84	2.05	0.03	0.07
Xanthine	ME646008	1.87	2.06	0.03	0.04
N-Acetylhistidine	ME645943	2.02	1.87	0.06	0.05
Inosine	ME645883	2.00	1.97	0.00	0.02
L-Phenylalanine	ME645907	1.99	1.97	0.01	0.03
D-Glucose	ME645843	1.50	1.25	0.20	0.30
5-Hydroxyisourate	ME645797	1.61	1.34	0.03	0.07
N-Acetylcystathionine	ME645938	1.68	1.23	0.10	0.09
L-Lysine	ME645903	1.20	1.69	0.02	0.20
4-Hydroxybutyric acid	ME645792	1.48	1.41	0.09	0.14
L-Acetopine	ME645891	1.45	1.51	0.04	0.04
Tetrahydropentoxyline	ME645991	1.36	1.59	0.05	0.06
2-Furoic acid	ME645777	1.44	1.69	0.15	0.16
N-Acetylglutamine	ME645941	1.64	1.62	0.20	0.12
N-a-Acetyl-L-arginine	ME645937	1.46	1.81	0.36	0.37
dCMP	ME645838	1.53	1.82	0.26	0.38
Glycyl-L-leucine	ME645868	1.53	1.74	0.26	0.47
ascr1	ME645819	1.65	1.81	0.26	0.28
L-Tryptophan	ME645910	1.62	1.82	0.18	0.38
Pyridine N-oxide glucuronide	ME645974	1.66	1.82	0.16	0.35
Hypoxanthine	ME645878	1.59	1.94	0.15	0.32
N-gamma-L-Glutamyl-L-methionine	ME645950	1.53	1.91	0.28	0.27
Uridine 5^-monophosphate	ME646002	1.41	1.99	0.03	0.56
Succinyladenosine	ME645989	1.30	1.99	0.31	0.40
Threonic acid	ME645993	1.23	2.07	0.25	0.45
Ilicifolinoside A	ME645881	1.67	1.09	0.33	0.53
D-Leucic acid	ME645849	1.58	1.47	0.61	0.35
Pterin	ME645973	1.58	1.50	0.40	0.53
Ketoleucine	ME645890	1.53	1.49	0.33	0.65
S-Carboxymethyl-L-cysteine	ME645984	1.55	1.55	0.32	0.58
Pantothenic acid	ME645963	1.66	1.63	0.32	0.38
Saccharopine	ME645981	1.70	1.60	0.31	0.39
Guanosine	ME645871	1.91	1.42	0.27	0.40
Uric acid	ME645999	1.83	1.54	0.19	0.44
4-Hydroxybenzoic acid	ME645791	0.21	1.32	0.63	1.84
Deoxyribose	ME645841	0.25	1.68	0.54	1.51
(S)-2-Aceto-2-hydroxybutanoic acid	ME645765	0.33	1.74	0.30	1.63
ascr11	ME645821	0.43	1.25	1.12	1.21
L-Aspartic acid	ME645896	0.46	1.17	0.93	1.44
2-Aminomuconic acid	ME645776	0.49	0.84	1.16	1.29
N-Acetylornithine	ME645947	0.64	0.72	1.12	1.09
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	ME645785	0.27	0.61	1.18	1.66
Methylpyrazine	ME645930	0.72	0.73	0.95	1.60
Urocanic acid	ME646005	0.62	0.70	1.09	1.60
2-Keto-glutaramic acid	ME645781	0.85	1.94	0.48	0.93
(S)-9-Hydroxy-10-undecenoic acid	ME645766	0.74	1.87	0.85	0.67
D-Ribulose 5-phosphate	ME645850	0.88	0.95	0.54	1.51
Guanosine monophosphate	ME645872	1.21	1.24	0.21	1.35
Phosphodimethylethanolamine	ME645966	1.26	1.34	0.34	1.06
L-Aspartate-semialdehyde	ME645895	1.11	1.65	0.65	0.59
N-(1-Deoxy-1-fructosyl)methionine	ME645932	1.22	1.58	0.61	0.59
4-Hydroxy-2-oxoglutaric acid	ME645790	1.33	1.60	0.36	0.71
Diaminopimelic acid	ME645845	1.10	1.63	0.30	0.73
Isopropyl citrate	ME645887	1.37	0.93	0.83	0.78
2-Hydroxyadipic acid	ME645778	1.38	1.13	0.42	0.82
7-Aminomethyl-7-carbaguanine	ME645801	1.42	1.27	0.68	0.62
Gluconic acid	ME645862	1.40	1.32	0.62	0.66
Phaseolic acid	ME645965	0.85	0.88	0.98	1.29
Vinylacetylglycine	ME646006	0.90	0.93	1.00	1.17
L-Valine	ME645912	0.94	0.92	1.03	1.11
Norfuraneol	ME645954	0.97	0.91	1.05	1.07
Sucrose	ME645990	1.15	0.84	1.09	0.91
N-Acetyl-L-tyrosine	ME645946	1.06	0.94	1.08	0.92
Porphobilinogen	ME645969	1.03	0.95	1.09	0.94
1-Methylguanosine	ME645771	1.02	1.11	1.19	0.69
N-Acetyl-L-phenylalanine	ME645945	1.17	0.97	1.19	0.72
1,2,3-Trihydroxybenzene	ME645768	0.67	1.59	0.46	1.29
Prenyl glucoside	ME645970	0.69	1.64	0.72	0.96
Citric acid	ME645832	0.95	1.45	0.58	1.02
Glycylproline	ME645869	0.91	1.45	0.52	1.12
Erythrose	ME645851	1.20	1.32	0.64	0.83
Isoleucyl-Tyrosine	ME645885	1.13	1.12	0.88	0.88
Itaconic acid	ME645889	1.16	1.28	0.79	0.99
Deoxyadenosine monophosphate	ME645840	0.91	1.38	0.78	0.93
Arabinonic acid	ME645817	0.79	1.41	0.88	0.92
Formiminoglutamic acid	ME645854	0.79	1.34	1.01	0.89
1H-Indole-3-carboxaldehyde	ME645770	0.73	1.35	0.74	1.18
Xanthosine	ME646009	0.91	1.23	0.75	1.10
2-Ketobutyric acid	ME645780	0.91	1.09	0.81	1.19
Galactosylglycerol	ME645858	0.96	1.15	0.83	1.11
(±)-2-Hydroxy-4-(methylthio)butanoic acid	ME645764	1.25	NA	0.75	NA
1-Pyrroline-2-carboxylic acid	ME645773	1.19	0.09	1.39	0.19
1-(sn-Glycero-3-phospho)-1D-myo-inositol	ME645767	0.97	0.04	1.46	0.21
11-Hydroxy-9-tridecenoic acid	ME645769	0.95	NA	1.05	NA
2-(Methylthio)pyrazine	ME645774	0.77	NA	1.23	NA
Hydroxyphenyllactic acid	ME645876	1.73	0.84	0.96	0.47
N-Acetyl-D-glucosamine	ME645939	1.50	0.62	1.24	0.63
1-Methylinosine	ME645772	1.30	0.64	1.65	0.42
3-Methylguanine	ME645789	1.31	0.51	1.54	0.70
Alpha-ketoisovaleric acid	ME645814	0.08	0.13	0.59	1.85
Isopentenyl pyrophosphate	ME645886	NA	NA	0.40	1.60
Mannitol	ME645927	NA	NA	0.37	1.63
5-Aminolevulinic acid	ME645795	0.04	0.05	1.16	1.32
Hydroxyprolyl-Valine	ME645877	0.11	0.16	1.51	1.36
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid	ME645796	0.06	0.30	0.92	1.49
Adenosine	ME645807	0.38	0.25	0.99	1.46
Thiomorpholine 3-carboxylate	ME645992	0.46	0.35	1.16	1.23
N-Gluconyl ethanolamine phosphate	ME645951	NA	NA	1.35	0.65
3-Hydroxyisoheptanoic acid	ME645787	NA	NA	1.30	0.70
Sebacic acid	ME645985	NA	NA	1.27	0.73
Uridine	ME646000	NA	NA	1.21	0.79
Orotic acid	ME645958	NA	NA	1.23	0.77
Pimelic acid	ME645967	NA	NA	1.22	0.78
Allantoin	ME645811	NA	NA	1.12	0.88
Uracil	ME645997	NA	NA	1.15	0.85
Hydantoin-5-propionic acid	ME645875	NA	NA	0.68	1.32
L-Malic acid	ME645904	NA	NA	0.68	1.32
Gamma Glutamylglutamic acid	ME645859	NA	NA	0.72	1.28
Fucose 1-phosphate	ME645856	NA	NA	0.71	1.29
Garcinia acid	ME645861	NA	NA	0.71	1.29
4-Pyridoxic acid	ME645794	NA	NA	0.58	1.42
Cytidine	ME645835	NA	NA	0.64	1.36
Decarbamoylgonyautoxin III	ME645839	NA	NA	0.87	1.13
N-Acetylglutamic acid	ME645940	NA	NA	0.88	1.12
7-Methylxanthine	ME645802	NA	NA	0.88	1.12
Cytidine 2^,3^-cyclic phosphate	ME645836	NA	NA	0.88	1.12
2-Isopropylmalic acid	ME645779	NA	NA	0.85	1.15
Undecanedioic acid	ME645996	NA	NA	0.86	1.14
Pyridoxal	ME645975	NA	NA	0.78	1.22
Cyclic AMP	ME645833	NA	NA	0.81	1.19
Cyclic GMP	ME645834	NA	NA	0.81	1.19
Tiglic acid	ME645994	NA	NA	0.97	1.03
N^-Formylkynurenine	ME645949	NA	NA	0.94	1.06
Ureidosuccinic acid	ME645998	NA	NA	0.95	1.05
Allysine	ME645813	NA	NA	1.03	0.97
Acaciabiuronic acid	ME645805	NA	NA	1.05	0.95
N-(1-Deoxy-1-fructosyl)tyrosine	ME645934	NA	NA	1.05	0.95
Butyric acid	ME645828	NA	NA	0.99	1.01
Oxoglutaric acid	ME645961	NA	NA	1.01	0.99
Glutaric acid	ME645864	0.17	0.29	1.83	1.71
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	ME645784	0.32	0.40	1.71	1.58
Allantoic acid	ME645810	0.40	0.42	1.64	1.55
Glucosamine 6-phosphate	ME645863	0.03	0.04	1.68	1.77
Oxoadipic acid	ME645960	0.18	0.12	1.52	2.18
Uridine 2^,3^-cyclic phosphate	ME646001	0.11	0.11	1.61	2.18
Homocysteinesulfinic acid	ME645874	0.33	0.14	2.53	0.99
Fructose 6-phosphate	ME645855	0.53	0.68	1.70	1.09
Alpha-N-Phenylacetyl-L-glutamine	ME645815	0.14	0.09	2.08	1.25
3-Dehydrocarnitine	ME645783	0.48	0.30	1.97	0.94
ascr5	ME645823	0.40	0.31	2.12	1.17
Pectic acid	ME645964	0.48	0.44	1.89	1.19

Factors:

F1	Heat shock:control \| Metabolome:endometabolome
F2	Heat shock:control \| Metabolome:exometabolome
F3	Heat shock:heat shock \| Metabolome:endometabolome
F4	Heat shock:heat shock \| Metabolome:exometabolome

Data matrix