Data for (Study ST003362)

(Analysis AN005507)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3
10-(Methylsulfonyl)decanenitrile(None) 0.7660 NA 1.2340
(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic acid(None) 0.8676 NA 1.1324
[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(None) 0.9590 NA 1.0410
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_3) 0.6822 NA 1.3178
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_5) 1.1231 NA 0.9385
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(None) 0.8275 NA 1.1725
16-Hydroxyhexadecanoic acid(None) 0.9062 NA 1.1250
1-Benzothiophen-3-ylacetonitrile(13C_1) 0.8362 NA 1.1638
1-Benzothiophen-3-ylacetonitrile(None) 0.8948 NA 1.1052
1-BOC-4-Mercaptopiperidine(None) 0.7969 NA 1.2031
1-Deoxy-1-(methylamino)hexitol(None) 0.7575 NA 1.2425
1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None) 0.8896 NA 1.0736
1-Oxo-1,2,4-butanetricarboxylic acid(13C_4) 0.8830 NA 1.3510
1-Oxo-1,2,4-butanetricarboxylic acid(13C_5) 0.7960 NA 1.2040
1-Oxo-1,2,4-butanetricarboxylic acid(None) 1.2745 NA 0.6339
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3) 0.1915 NA 1.8085
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4) 0.7691 NA 1.2309
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_5) NA NA 1.0000
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_7) NA NA 1.0000
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_8) NA NA 1.0000
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None) 0.9999 NA 1.0001
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_3) NA NA 1.0000
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4) 0.7342 NA 1.2658
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None) 0.9244 NA 1.0756
2,2^-Bipyridine-4,4^-dicarboxamide(None) 0.9318 NA 1.0682
2-(2-oxomorpholino)acetic acid(None) 0.9083 NA 1.0917
2,3,4,5,6,7,8-Heptahydroxyoctanal(13C_1) 1.0000 NA NA
2,3,4,5,6,7,8-Heptahydroxyoctanal(None) 0.9680 NA 1.0320
2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1) 1.0393 NA 0.8822
2,3,4,5,6,7-Hexahydroxyheptanoic acid(None) 0.9526 NA 1.0474
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_1) 1.2217 NA 0.8337
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_2) 1.0996 NA 0.9336
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(None) 0.9674 NA 1.0326
2,4-Dichloro-5-pyrimidinecarbonitrile(None) 1.6425 NA 0.5181
2,4-Dinitrophenol(None) 0.9427 NA 1.0573
2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5) 0.8258 NA 1.1742
2,6-Dichloro-4-(trifluoromethyl)aniline(None) 1.0012 NA 0.9988
2,6-Dimethylbenzenesulfonyl Chloride(13C_4) 0.8312 NA 1.2250
2,6-Dimethylbenzenesulfonyl Chloride(None) 0.9118 NA 1.0882
2-Acetamido-2-deoxy-D-gluconolactone(13C_1) 1.2873 NA 0.4253
2-Acetamido-2-deoxy-D-gluconolactone(13C_5) 1.0225 NA 0.9551
2-Acetamido-2-deoxy-D-gluconolactone(None) 1.2657 NA 0.7343
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(13C_2) 0.5718 NA 1.4282
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(None) 0.8806 NA 1.1194
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(13C_1) 1.2584 NA 0.4832
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(None) 0.7257 NA 1.2743
2-Amino-6-methylsulfonylbenzothiazole(None) 1.0083 NA 0.9917
2-Amino-N^-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(None) 0.8459 NA 1.1541
2-Aminothiazole-4-carboxylic acid(None) 1.1049 NA 0.8951
2-[(Carboxymethoxy)carbonyl]benzoic acid(13C_1) NA NA 1.0000
2-[(Carboxymethoxy)carbonyl]benzoic acid(None) 0.8971 NA 1.1029
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None) 0.8869 NA 1.1131
(2E)-4,5,7-Trihydroxy-2-octenoic acid(None) 0.4940 NA 1.5060
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(13C_1) 1.0000 NA NA
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None) 0.8760 NA 1.1240
2-Hydroxy glutaric acid(13C_1) 0.3309 NA 2.3382
2-Hydroxy glutaric acid(13C_3) 0.6016 NA 1.3984
2-Hydroxy glutaric acid(13C_4) 0.0320 NA 1.2420
2-Hydroxy glutaric acid(13C_5) 0.5954 NA 1.4046
2-Hydroxy glutaric acid(None) 1.1165 NA 0.8835
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1) 1.0421 NA 0.9684
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None) 0.9368 NA 1.0632
2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None) 0.7312 NA 1.2688
2-Ketobutyric acid(13C_1) NA NA 1.0000
2-Ketobutyric acid(13C_2) 0.7277 NA 1.1362
2-Ketobutyric acid(13C_4) 0.6535 NA 1.3465
2-Ketobutyric acid(None) 0.9402 NA 1.0598
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_3) 0.7695 NA 1.2305
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_5) 0.6380 NA 1.2715
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(None) 1.0004 NA 0.9997
2-Phosphoglycerate (2PG)(13C_3) 1.1680 NA 0.6640
2-Phosphoglycerate (2PG)(None) 1.0335 NA 0.9665
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(13C_1) 0.6783 NA 1.1609
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(None) 0.8955 NA 1.1045
(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None) 0.4907 NA 1.5093
(2Z)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyacrylic acid*,*3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxiranecarboxylic acid(None) 0.8513 NA 1.1487
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1) 3.0011 NA 0.3330
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None) 0.9373 NA 1.0627
3,6-Dibromopyridazine(None) 1.0153 NA 0.9847
3-Hydroxy-3-methylglutaric acid(13C_1) NA NA 1.0000
3-Hydroxy-3-methylglutaric acid(13C_2) 0.7115 NA 1.2885
3-Hydroxy-3-methylglutaric acid(13C_4) NA NA 1.0000
3-Hydroxy-3-methylglutaric acid(None) 0.7552 NA 1.2448
3-Hydroxy-3-propylhexanoic acid(13C_1) 0.6121 NA 1.2586
3-Hydroxy-3-propylhexanoic acid(None) 0.6103 NA 1.3897
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(13C_1) 1.4077 NA 0.1845
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(None) 0.7685 NA 1.2315
3-Hydroxyanthranilic acid(13C_1) 1.0000 NA NA
3-Hydroxyanthranilic acid(None) 0.8498 NA 1.1127
3-Hydroxyheptanoic acid(13C_1) 1.0347 NA 0.9653
3-Hydroxyheptanoic acid(None) 0.6961 NA 1.3039
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1) 0.3922 NA 1.1520
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None) 0.6365 NA 1.3635
3-Hydroxypicolinic acid(13C_1) NA NA 1.0000
3-Hydroxypicolinic acid(None) 1.2288 NA 0.7712
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8) 1.0546 NA 0.9454
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None) 1.0634 NA 0.9366
3-Methyladipic acid(None) 0.9049 NA 1.1267
3-Methylazelaic acid(13C_1) 0.1943 NA 1.4029
3-Methylazelaic acid(None) 1.0742 NA 0.9258
3-phosphoglycerate (3PG)(13C_1) 1.0688 NA 0.9541
3-phosphoglycerate (3PG)(13C_3) NA NA 1.0000
3-phosphoglycerate (3PG)(None) 0.7316 NA 1.2684
4-(4-Dodecanyl)benzenesulfonic acid(None) 0.5970 NA 1.4030
4-(4-Ethylphenyl)butanoic acid(13C_1) 0.8948 NA 1.0789
4-(4-Ethylphenyl)butanoic acid(None) 1.0878 NA 0.9122
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None) 0.8708 NA 1.1292
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None) 0.9478 NA 1.0522
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1) 0.1448 NA 1.2851
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None) 1.0948 NA 0.9052
4-Hydroxybenzaldehyde(13C_1) 0.5183 NA 1.9634
4-Hydroxybenzaldehyde(None) 1.1536 NA 0.8464
4-Hydroxyphenylpyruvic acid(None) 0.8618 NA 1.1382
4-Methyl-2-oxovaleric acid(13C_1) 0.4968 NA 1.5032
4-Methyl-2-oxovaleric acid(None) 0.6518 NA 1.4642
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1) 1.3061 NA 0.5409
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3) 0.8393 NA 1.1607
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4) 0.7785 NA 1.2215
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5) 0.7917 NA 1.2083
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None) 1.1421 NA 0.8579
4-nitrocatechol(None) 1.0298 NA 0.9702
4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None) 0.7161 NA 1.2839
4-Oxoproline(13C_1) 1.2889 NA 0.1334
4-Oxoproline(13C_2) 0.9731 NA 1.0538
4-Oxoproline(13C_3) 0.9479 NA 1.0521
4-Oxoproline(13C_4) 0.7736 NA 1.2264
4-Oxoproline(13C_5) 0.6278 NA 1.3722
4-Oxoproline(None) 1.1338 NA 0.8662
4-Pyridoxic acid*,*5-pyridoxic acid(None) 0.8854 NA 1.1146
4-Tert-butyl-2,6-dinitroanisole(None) 0.9612 NA 1.0388
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1) 1.0062 NA 0.9938
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None) 0.6777 NA 1.3223
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(13C_1) 0.5739 NA 1.1420
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(None) 0.8229 NA 1.1771
5,8,12-Trihydroxy-2-oxododecanoic acid(None) 0.9502 NA 1.0498
5-ATP*,*ATP(13C_1) 0.0431 NA 1.9569
5-ATP*,*ATP(13C_5) 1.1081 NA 0.9460
5-ATP*,*ATP(13C_6) 1.2435 NA 0.5130
5-ATP*,*ATP(None) 0.8043 NA 1.1957
5-CMP*,*CMP(13C_1) 0.8611 NA 1.1389
5-CMP*,*CMP(None) 0.7420 NA 1.2580
5-Hydroxy-2-nitrobenzoic acid(None) 0.8550 NA 1.1450
5-Hydroxy-DL-tryptophan(13C_1) 1.0000 NA NA
5-Hydroxy-DL-tryptophan(None) 0.8730 NA 1.1270
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(13C_1) 0.9967 NA 1.0099
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(None) 0.8562 NA 1.1438
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None) 0.7011 NA 1.2989
6-Hydroxycaproic acid(None) 0.3523 NA 1.4858
6-Oxohexanoic acid(13C_1) 0.1676 NA 1.8324
6-Oxohexanoic acid(None) 0.7193 NA 1.2807
6-Phosphogluconate(6PG)(13C_1) 0.2911 NA 1.7089
6-Phosphogluconate(6PG)(None) 0.9366 NA 1.0634
8-Amino-7-oxononanoic acid(13C_1) 0.9310 NA 1.0690
8-Amino-7-oxononanoic acid(None) 1.5464 NA 0.4536
(+/-)9-HpODE(None) 1.0903 NA 0.9699
9-Oxononanoic acid(13C_1) 0.6052 NA 1.3948
9-Oxononanoic acid(None) 0.9016 NA 1.0984
Adipic acid(13C_1) 0.5254 NA 1.3559
Adipic acid(None) 1.0966 NA 0.9034
alpha-ketoglutarate(13C_1) 0.8479 NA 1.1521
alpha-ketoglutarate(13C_2) 0.6545 NA 1.3455
alpha-ketoglutarate(13C_3) 0.8091 NA 1.1909
alpha-Ketoglutarate(13C_3) 1.0751 NA 0.8498
alpha-ketoglutarate(13C_4) 0.6054 NA 1.3946
alpha-Ketoglutarate(13C_4) 1.2597 NA 0.2208
alpha-ketoglutarate(13C_5) 0.6261 NA 1.3739
alpha-Ketoglutarate(13C_5) 0.9071 NA 1.0929
alpha-ketoglutarate(None) 0.9308 NA 1.0692
alpha-Ketoglutarate(None) 1.2120 NA 0.7880
Aminolevulinic acid(None) 0.8297 NA 1.1703
Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid(None) 1.0375 NA 0.9625
Asp-Ala(13C_5) 0.7799 NA 1.2201
Asp-Ala(None) 0.8696 NA 1.1304
Aspartic acid(13C_1) 1.4211 NA 0.5789
Aspartic acid(13C_2) 1.2433 NA 0.7567
Aspartic acid(13C_3) 0.7793 NA 1.2207
Aspartic acid(13C_4) 1.0755 NA 0.9245
Aspartic acid(None) 1.2525 NA 0.7475
Azelaic acid(13C_1) 2.3419 NA 0.3290
Azelaic acid(None) 1.0806 NA 0.9194
Benzenol(None) 0.7850 NA 1.2150
Benzoresorcinol(None) 1.0750 NA 0.9250
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(13C_1) NA NA 1.0000
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None) 0.9196 NA 1.0804
Biacetyl(13C_1) 1.0003 NA 0.9994
Biacetyl(13C_2) 0.6968 NA 1.2274
Biacetyl(13C_3) 0.8362 NA 1.1638
Biacetyl(None) 0.9820 NA 1.0180
Brassylic acid(13C_1) 0.9504 NA 1.0496
Brassylic acid(None) 0.8014 NA 1.1986
Butylparaben(None) 1.0656 NA 0.9344
Capryloylglycine(13C_1) 0.8901 NA 1.0549
Capryloylglycine(None) 0.8366 NA 1.1634
CDP(None) 0.8794 NA 1.1206
cis-2-Carboxycyclohexyl-acetic acid(None) 0.6423 NA 1.3577
cis-Aconitate(13C_1) 0.7579 NA 1.3228
cis-Aconitate(13C_2) 1.0328 NA 0.9672
cis-Aconitate(13C_3) 0.6747 NA 1.3253
cis-Aconitate(13C_4) 0.9379 NA 1.0621
cis-Aconitate(13C_5) 0.5560 NA 1.4440
cis-Aconitate(None) 1.1809 NA 0.8191
Citrate(13C_1) 1.6998 NA 0.3002
Citrate(13C_2) 0.8315 NA 1.1685
Citrate(13C_3) 0.4098 NA 1.5902
Citrate(13C_4) 0.5288 NA 1.4712
Citrate(13C_5) 0.4160 NA 1.5840
Citrate(None) 0.8421 NA 1.1579
Citrulline(None) 0.2641 NA 1.2453
CMPF*,*Isoamyl Gallate(13C_1) 0.6261 NA 1.3739
CMPF*,*Isoamyl Gallate(None) 1.0650 NA 0.9350
CTP(None) 1.2595 NA 0.8053
Decenedioic acid(13C_1) 1.3393 NA 0.3215
Decenedioic acid(None) 0.9229 NA 1.0771
D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1) 0.7135 NA 1.2865
D-fructose-1,6-bisphosphate (F1, 6BP)(None) 0.7920 NA 1.2080
D-Fructose-6-Phosphate(F6P)(None) 0.8177 NA 1.1823
D-(-)-Fructose*,*Hexose(13C_1) 1.6182 NA 0.3818
D-(-)-Fructose*,*Hexose(None) 0.9908 NA 1.0092
D-gamma-Glu-Gly(13C_2) NA NA 1.0000
D-gamma-Glu-Gly(None) 0.9595 NA 1.0405
D-Glucose-6-Phosphate(G6P)(None) 0.5352 NA 1.3486
D-Glyceraldehyde3-Phosphate(GADP)(None) 0.7578 NA 1.3230
Dibutyl dodecanedioate(None) 0.8460 NA 1.1540
Diethyl (2-oxocyclohexyl)malonate(None) 0.7572 NA 1.2428
Diethylpyrocarbonate(None) 1.0052 NA 0.9948
Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phosphate(None) 0.6612 NA 1.3388
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1) 1.1994 NA 0.9003
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None) 0.9663 NA 1.0337
Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1) 0.2470 NA 1.3765
Dimethyl 2-hydroxy-7-methyloctanedioate(None) 0.8878 NA 1.1122
Dinitro-ortho-cresol(None) 0.7357 NA 1.2643
Di-tert-butyl malonate(None) NA NA 1.0000
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_2) 0.8786 NA 1.1821
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_3) 1.0169 NA 0.9873
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_4) 0.8394 NA 1.1606
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(None) 1.1308 NA 0.8692
DL-alpha-Glycerol phosphate(None) 0.7644 NA 1.2356
DL-Glyceric acid(None) 0.8729 NA 1.1271
DL-p-Hydroxyphenyllactic acid(13C_8) 0.9177 NA 1.1647
DL-p-Hydroxyphenyllactic acid(None) 1.0118 NA 0.9882
Erythrose, 4-phosphate(None) 0.9756 NA 1.0732
Ethylene dodecanedioate(None) 1.2380 NA 0.8810
Ethyl myristate(None) 0.9192 NA 1.0808
fMet(None) 0.8271 NA 1.1729
Fructose(None) 0.7844 NA 1.8624
Fumaric acid(13C_1) 1.0001 NA 0.9999
Fumaric acid(13C_2) 0.9809 NA 1.0191
Fumaric acid(13C_3) 0.5694 NA 1.4306
Fumaric acid(13C_4) 0.8339 NA 1.1661
Fumaric acid(None) 1.0331 NA 0.9669
gamma-Glu-gln(13C_10) 0.6162 NA 1.3838
gamma-Glu-gln(13C_5) 0.8466 NA 1.1534
gamma-Glu-gln(None) 0.7503 NA 1.2497
Gluconic acid(None) 0.9190 NA 1.0810
Glucose(None) 0.7384 NA 1.2616
Glucuronolactone*,*Vitamin C(13C_1) 1.0000 NA NA
Glucuronolactone*,*Vitamin C(None) 0.5625 NA 1.3281
Glutaric acid(13C_1) 0.8584 NA 1.1416
Glutaric acid(13C_2) NA NA 1.0000
Glutaric acid(None) 0.9879 NA 1.0121
glycerol 1,2-cyclic phosphate(13C_1) NA NA 1.0000
glycerol 1,2-cyclic phosphate(None) 0.7955 NA 1.2045
Glycerophosphoglycerol(None) 0.7964 NA 1.2036
Glycerylphosphorylethanolamine(None) 0.7480 NA 1.2520
Guanosine 5^-diphosphate (GDP)*,*GDP(None) 0.8405 NA 1.1595
Hexanoic acid(13C_1) 1.2315 NA 0.7685
Hexanoic acid(None) 1.1291 NA 0.8709
H-HIS-ARG-OH(13C_1) 0.9802 NA 1.0298
H-HIS-ARG-OH(None) 0.6718 NA 1.3282
Histidine(None) 0.8175 NA 1.1825
(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2-oxovaleric acid(None) 0.6955 NA 1.3045
Indole-3-aldehyde(None) 0.9029 NA 1.0971
indole-3-lactic acid(None) 0.9234 NA 1.0766
Isocitrate(13C_1) 1.4557 NA 0.5443
Isocitrate(13C_2) 1.0126 NA 0.9874
Isocitrate(13C_3) 0.5730 NA 1.4270
Isocitrate(13C_4) 0.8682 NA 1.1318
Isocitrate(13C_5) 0.4393 NA 1.5607
Isocitrate(None) 0.7047 NA 1.2953
Itaconic acid(13C_1) 0.9789 NA 1.0422
Itaconic acid(13C_2) 0.9668 NA 1.0332
Itaconic acid(13C_3) 0.7273 NA 1.2727
Itaconic acid(13C_4) 0.7644 NA 1.2356
Itaconic acid(None) 1.0412 NA 0.9588
Lactate(13C_1) 1.0000 NA NA
Lactate(13C_3) 0.8606 NA 1.1394
Lactate(None) 0.7635 NA 1.2365
L-alpha-Aminoadipic acid(13C_1) 0.6853 NA 1.6294
L-alpha-Aminoadipic acid(None) 1.2258 NA 0.7742
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_1) 2.1101 NA 0.6300
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_5) 0.6974 NA 1.3026
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(None) 1.1490 NA 0.8510
L-Glutathione oxidized(13C_1) 0.8831 NA 1.1169
L-Glutathione oxidized(13C_10) 0.3802 NA 1.6198
L-Glutathione oxidized(13C_11) NA NA 1.0000
L-Glutathione oxidized(13C_3) NA NA 1.0000
L-Glutathione oxidized(13C_4) 0.8264 NA 1.1302
L-Glutathione oxidized(13C_5) 0.7368 NA 1.2632
L-Glutathione oxidized(13C_9) NA NA 1.0000
L-Glutathione oxidized(None) 1.2508 NA 0.7492
L-Glutathione (reduced)*,*Glutathione(13C_3) 0.4714 NA 1.1322
L-Glutathione (reduced)*,*Glutathione(13C_4) 0.6300 NA 1.3700
L-Glutathione (reduced)*,*Glutathione(13C_5) 0.5550 NA 1.4450
L-Glutathione (reduced)*,*Glutathione(None) 1.0795 NA 0.9205
L-Proline(13C_5) 0.5811 NA 1.3142
L-Proline(None) 0.9408 NA 1.0592
L-Pyroglutamic acid(13C_1) 0.4124 NA 1.3917
L-Pyroglutamic acid(13C_2) 0.4537 NA 1.5463
L-Pyroglutamic acid(13C_3) 0.6982 NA 1.3018
L-Pyroglutamic acid(13C_4) 0.8671 NA 1.1993
L-Pyroglutamic acid(13C_5) 0.7407 NA 1.2593
L-Pyroglutamic acid(None) 0.9085 NA 1.0915
L-Threonic acid(13C_1) 1.0000 NA NA
L-Threonic acid(None) 0.7301 NA 1.2699
L-Tyrosine methyl ester(None) 1.0175 NA 0.9825
Malate(13C_1) 1.1593 NA 0.9203
Malate(13C_2) 0.9373 NA 1.0627
Malate(13C_3) 0.5923 NA 1.4077
Malate(13C_4) 0.8537 NA 1.1463
Malate(None) 1.0558 NA 0.9442
Maleic acid(13C_1) 0.8797 NA 1.0802
Maleic acid(13C_2) 0.8875 NA 1.1125
Maleic acid(13C_3) 0.5932 NA 1.4068
Maleic acid(13C_4) 0.7190 NA 1.2810
Maleic acid(None) 1.0599 NA 0.9401
Malonic acid(None) 1.0253 NA 0.9747
Mesyl anhydride(None) 1.0007 NA 0.9993
Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None) 0.6393 NA 1.3607
Methyl 3,5-dinitrosalicylate(None) 1.0415 NA 0.9585
Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None) 0.7920 NA 1.2080
Methyl acetoacetate*,*Levulinic acid(13C_1) NA NA 1.0000
Methyl acetoacetate*,*Levulinic acid(None) 0.6820 NA 1.3180
Methyl [(methylsulfonyl)oxy]acetate(None) 1.1890 NA 0.7479
Methyl N,S-dihexanoylcysteinate(13C_1) 1.3350 NA 0.6650
Methyl N,S-dihexanoylcysteinate(None) 1.0758 NA 0.9242
[(Methylsulfonyl)oxy]acetic acid(None) 1.1382 NA 0.8618
Methyl tyrosinate(None) 0.9906 NA 1.0094
Myristyl sulfate(None) 0.6702 NA 1.3298
N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None) 0.9983 NA 1.0013
N-Acetyl-1-aspartylglutamic acid(None) 0.5891 NA 1.3082
N-Acetylalanine(13C_1) 1.0000 NA NA
N-Acetylalanine(13C_2) 0.1794 NA 1.2052
N-Acetylalanine(None) 0.9552 NA 1.0448
N-Acetylaspartic acid(13C_3) 0.1433 NA 1.4283
N-Acetylaspartic acid(13C_4) 0.4960 NA 1.5040
N-Acetylaspartic acid(None) 0.7262 NA 1.2738
N-Acetyl-L-cysteine(13C_1) 1.0487 NA 0.9513
N-Acetyl-L-cysteine(13C_2) NA NA 1.0000
N-Acetyl-L-cysteine(None) 1.0136 NA 0.9864
N-Acetyl-L-glutamic acid(13C_1) 1.0282 NA 0.9718
N-Acetyl-L-glutamic acid(13C_3) NA NA 1.0000
N-Acetyl-L-glutamic acid(13C_5) 0.5761 NA 1.4239
N-Acetyl-L-glutamic acid(13C_7) NA NA 1.0000
N-Acetyl-L-glutamic acid(None) 0.8119 NA 1.1881
N-Acetylneuraminic acid(13C_1) 1.0000 NA NA
N-Acetylneuraminic acid(None) 0.6561 NA 1.3439
N-(Adamantan-1-ylcarbonyl)alanine(13C_1) 1.9214 NA 0.6929
N-(Adamantan-1-ylcarbonyl)alanine(None) 1.0637 NA 0.9363
NADH(None) 1.1570 NA 0.7644
O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine(None) 0.9074 NA 1.1235
O-Acetylserine(13C_1) 0.9217 NA 1.2350
O-Acetylserine(None) 0.8203 NA 1.1348
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphoryl}-L-serine(None) 0.9294 NA 1.0706
Orotic acid(13C_1) 1.0000 NA NA
Orotic acid(13C_2) NA NA 1.0000
Orotic acid(13C_3) 0.6241 NA 1.3759
Orotic acid(13C_4) 0.6528 NA 1.3472
Orotic acid(None) 0.7267 NA 1.2733
Orotidine(13C_4) 0.9424 NA 1.0576
Orotidine(None) 0.8879 NA 1.1121
Pantothenic acid(None) 0.8338 NA 1.1662
P-DMEA(None) 1.0923 NA 0.9538
Phosphocreatine(13C_1) 0.8742 NA 1.1258
Phosphocreatine(13C_3) 1.0000 NA NA
Phosphocreatine(None) 0.8575 NA 1.1425
phosphoenolpyruvate (PEP)(None) 1.0908 NA 0.9092
Phosphoric acid(None) 0.9014 NA 1.0986
Phthalic acid(13C_8) 1.0000 NA NA
Phthalic acid(None) 1.0611 NA 0.9389
Pseudouridine(None) 0.6758 NA 1.3242
Pyrophosphoric Acid(None) 0.9116 NA 1.0884
Pyruvate(13C_2) NA NA 1.0000
Pyruvate(13C_3) 0.7498 NA 1.2502
Pyruvate(None) 0.9283 NA 1.0717
Quinolinic Acid(13C_1) NA NA 1.0000
Quinolinic Acid(None) 0.8396 NA 1.1604
(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None) 0.6033 NA 1.3967
S-3-oxodecanoyl cysteamine(13C_1) 0.2143 NA 1.5893
S-3-oxodecanoyl cysteamine(None) 0.7462 NA 1.2538
Salicylic acid(13C_1) 0.6551 NA 1.6899
Salicylic acid(None) 0.8716 NA 1.1284
Sorbitol(None) 0.8833 NA 1.1167
Suberic acid(13C_1) 1.1176 NA 0.8824
Suberic acid(None) 1.0070 NA 0.9930
Succinate(13C_1) 1.1045 NA 0.8606
Succinate(13C_2) 1.0409 NA 0.9591
Succinate(13C_3) 0.7946 NA 1.2054
Succinate(13C_4) 0.8096 NA 1.1904
Succinate(None) 1.1506 NA 0.8494
Taurine(13C_1) 1.1611 NA 0.8389
Taurine(None) 0.9095 NA 1.0905
Terephthalic acid(13C_1) NA NA 1.0000
Terephthalic acid(None) 1.2173 NA 0.6741
Threonine(None) 0.9548 NA 1.0452
Timonacic(None) 0.8006 NA 1.1994
TIQ-A(13C_2) 1.2342 NA 0.7658
TIQ-A(13C_3) 0.6737 NA 1.3263
TIQ-A(13C_4) 1.0707 NA 0.9293
TIQ-A(None) 1.2315 NA 0.7685
trans-4-Hydroxy-L-Proline(None) 0.8646 NA 1.1354
Trifluoroacetic acid(13C_1) 1.8466 NA 0.1534
Trifluoroacetic acid(None) 0.9477 NA 1.0523
UDP-GALC NAC(13C_2) 0.7241 NA 1.2069
UDP-GALC NAC(13C_3) 0.5710 NA 1.4290
UDP-GALC NAC(None) 0.8396 NA 1.1604
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_1) 1.0000 NA NA
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_2) NA NA 1.0000
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3) 0.3713 NA 1.6287
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None) 0.8175 NA 1.1825
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(13C_1) 0.1673 NA 1.8327
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(None) 0.8674 NA 1.1326
Ureidosuccinic acid(13C_1) NA NA 1.0000
Ureidosuccinic acid(13C_3) 0.5910 NA 1.4090
Ureidosuccinic acid(13C_4) 0.5792 NA 1.4208
Ureidosuccinic acid(13C_5) NA NA 1.0000
Ureidosuccinic acid(None) 0.7451 NA 1.2549
Uridine 5^-diphosphate (UDP)*,*UDP(13C_1) 1.0000 NA NA
Uridine 5^-diphosphate (UDP)*,*UDP(13C_3) 0.6448 NA 1.5328
Uridine 5^-diphosphate (UDP)*,*UDP(None) 0.8678 NA 1.1322
U,(Uridine)(13C_3) NA NA 1.0000
U,(Uridine)(13C_5) 0.7507 NA 1.2493
U,(Uridine)(None) 0.7611 NA 1.2389
Valine(None) 0.8877 NA 1.1123
Xanthine(None) 0.6592 NA 1.0852
β-Alanine*,*Alanine(13C_1) 1.0000 NA NA
β-Alanine*,*Alanine(13C_2) 0.9399 NA 1.0401
β-Alanine*,*Alanine(13C_3) 1.0593 NA 0.9407
β-Alanine*,*Alanine(None) 1.1962 NA 0.8038
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:Control
F2Treatment:NA
F3Treatment:Pimozide
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