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Data for ST003362
(Analysis AN005505):
Average values per metabolite and experimental factor (Units:Counts)
Metabolite structure
All data
F1
F2
F3
10-(Methylsulfonyl)decanenitrile(None)
448510.85
722575.95
(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic ac...
47725.33
62295.09
[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(Non...
315205.37
342157.00
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phospho...
1003300.63
1938221.56
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phospho...
1690675.25
1412733.26
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phospho...
23006334.04
32597086.77
16-Hydroxyhexadecanoic acid(None)
178088.25
221076.37
1-Benzothiophen-3-ylacetonitrile(13C_1)
1917081.87
2668106.18
1-Benzothiophen-3-ylacetonitrile(None)
44416821.67
54855746.89
1-BOC-4-Mercaptopiperidine(None)
430076.69
649334.18
1-Deoxy-1-(methylamino)hexitol(None)
4756934.47
7803327.18
1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None)
1041491.98
1256830.91
1-Oxo-1,2,4-butanetricarboxylic acid(13C_4)
164986.21
252426.52
1-Oxo-1,2,4-butanetricarboxylic acid(13C_5)
21169877.30
32020112.79
1-Oxo-1,2,4-butanetricarboxylic acid(None)
544066.54
270613.89
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3)
10736.93
101401.57
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4)
212076.97
339419.82
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_5)
-
18108.44
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_7)
-
102631.49
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_8)
-
153299.76
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None)
135131.71
135170.52
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_3)
-
33859.98
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4)
344202.96
593378.21
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None)
8758647.98
10191605.95
2,2^-Bipyridine-4,4^-dicarboxamide(None)
261787.83
300108.64
2-(2-oxomorpholino)acetic acid(None)
6789219.42
8160705.32
2,3,4,5,6,7,8-Heptahydroxyoctanal(13C_1)
251723.86
-
2,3,4,5,6,7,8-Heptahydroxyoctanal(None)
11304233.49
12052587.69
2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1)
885883.65
752017.32
2,3,4,5,6,7-Hexahydroxyheptanoic acid(None)
76575146.93
84203973.42
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic aci...
266604.19
181943.36
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic aci...
75336.43
63960.87
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic aci...
6088839.80
6499771.00
2,4-Dichloro-5-pyrimidinecarbonitrile(None)
10951169.34
3454537.15
2,4-Dinitrophenol(None)
1339698.63
1502437.28
2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5)
1698721.34
2415375.46
2,6-Dichloro-4-(trifluoromethyl)aniline(None)
711098.80
709442.82
2,6-Dimethylbenzenesulfonyl Chloride(13C_4)
104330.35
153758.33
2,6-Dimethylbenzenesulfonyl Chloride(None)
155487.95
185570.89
2-Acetamido-2-deoxy-D-gluconolactone(13C_1)
533875.58
176385.58
2-Acetamido-2-deoxy-D-gluconolactone(13C_5)
173007.95
161600.97
2-Acetamido-2-deoxy-D-gluconolactone(None)
72661804.94
42156591.76
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methi...
186404.97
465595.68
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methi...
9789049.79
12444367.92
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calyste...
129122.25
49574.99
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calyste...
4145274.70
7278193.76
2-Amino-6-methylsulfonylbenzothiazole(None)
1185146.39
1165537.97
2-Amino-N^-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(Non...
9701702.69
13236351.51
2-Aminothiazole-4-carboxylic acid(None)
410149.50
332279.44
2-[(Carboxymethoxy)carbonyl]benzoic acid(13C_1)
-
7449.97
2-[(Carboxymethoxy)carbonyl]benzoic acid(None)
437125.37
537450.80
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None)
757543.80
950843.73
(2E)-4,5,7-Trihydroxy-2-octenoic acid(None)
300098.66
914934.90
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(13C_1)
10886.51
-
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None)
1068037.60
1370536.78
2-Hydroxy glutaric acid(13C_1)
53314.48
376712.96
2-Hydroxy glutaric acid(13C_3)
169232.50
393367.65
2-Hydroxy glutaric acid(13C_4)
5746.64
222816.53
2-Hydroxy glutaric acid(13C_5)
5055352.94
11925731.72
2-Hydroxy glutaric acid(None)
49568765.16
39226399.56
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1)
69506.99
64592.81
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None)
2033474.64
2307990.21
2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None)
426946.36
740820.28
2-Ketobutyric acid(13C_1)
-
7683.36
2-Ketobutyric acid(13C_2)
68234.44
106540.16
2-Ketobutyric acid(13C_4)
3653759.00
7528382.35
2-Ketobutyric acid(None)
3110467.06
3505985.61
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(...
14701.70
23510.46
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(...
388287.13
773858.85
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(...
244068.67
243888.26
2-Phosphoglycerate (2PG)(13C_3)
41906.49
23822.03
2-Phosphoglycerate (2PG)(None)
21699287.34
20293840.48
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrr...
16038.24
27448.64
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrr...
681779.31
840906.79
(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None)
477185.78
1467875.23
(2Z)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyacrylic...
123516.55
166680.42
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1)
53469.07
5932.06
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None)
773633.94
877193.27
3,6-Dibromopyridazine(None)
1040822.09
1009510.14
3-Hydroxy-3-methylglutaric acid(13C_1)
-
15508.91
3-Hydroxy-3-methylglutaric acid(13C_2)
376213.43
681276.10
3-Hydroxy-3-methylglutaric acid(13C_4)
-
79943.54
3-Hydroxy-3-methylglutaric acid(None)
20590524.32
33940458.75
3-Hydroxy-3-propylhexanoic acid(13C_1)
14281.54
29365.12
3-Hydroxy-3-propylhexanoic acid(None)
968418.33
2205304.23
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl...
13126.72
1720.83
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl...
373963.43
599263.03
3-Hydroxyanthranilic acid(13C_1)
4300.79
-
3-Hydroxyanthranilic acid(None)
1104271.71
1445888.23
3-Hydroxyheptanoic acid(13C_1)
36365.41
33923.52
3-Hydroxyheptanoic acid(None)
1578563.77
2957036.49
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1)
14497.85
42583.02
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None)
779956.45
1670927.68
3-Hydroxypicolinic acid(13C_1)
-
64568.62
3-Hydroxypicolinic acid(None)
3920738.67
2460846.10
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8)
196700.45
176349.18
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None)
1114619.34
981727.54
3-Methyladipic acid(None)
2672861.39
3327934.40
3-Methylazelaic acid(13C_1)
20251.62
146219.43
3-Methylazelaic acid(None)
5391782.04
4647296.65
3-phosphoglycerate (3PG)(13C_1)
163541.27
145985.39
3-phosphoglycerate (3PG)(13C_3)
-
6261.64
3-phosphoglycerate (3PG)(None)
10280694.56
17825025.23
4-(4-Dodecanyl)benzenesulfonic acid(None)
175682.29
412905.18
4-(4-Ethylphenyl)butanoic acid(13C_1)
84453.46
101824.47
4-(4-Ethylphenyl)butanoic acid(None)
2607152.41
2186101.80
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None)
573818.05
744131.10
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None)
308536.57
342539.78
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1)
2331.58
20697.37
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None)
711144.25
588034.20
4-Hydroxybenzaldehyde(13C_1)
230379.81
872718.46
4-Hydroxybenzaldehyde(None)
11523578.11
8454737.11
4-Hydroxyphenylpyruvic acid(None)
305417.34
403360.78
4-Methyl-2-oxovaleric acid(13C_1)
109039.78
329963.38
4-Methyl-2-oxovaleric acid(None)
9170021.56
20598916.86
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1)
160774.92
66576.22
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3)
3680123.56
5089510.63
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4)
266630.18
418371.17
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5)
5698284.74
8696023.65
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None)
4335379.47
3256512.86
4-nitrocatechol(None)
1331997.32
1254892.00
4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None...
1031843.20
1849805.19
4-Oxoproline(13C_1)
664158.85
68723.80
4-Oxoproline(13C_2)
300210.65
325129.91
4-Oxoproline(13C_3)
7047175.93
7822498.65
4-Oxoproline(13C_4)
1898315.25
3009328.26
4-Oxoproline(13C_5)
47839480.79
104555159.61
4-Oxoproline(None)
59039382.13
45104534.27
4-Pyridoxic acid*,*5-pyridoxic acid(None)
346601.05
436310.12
4-Tert-butyl-2,6-dinitroanisole(None)
86242183.03
93213466.34
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1)
12150.43
11999.90
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None)
304022.46
593187.00
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(13C_...
18427.44
36671.07
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(None...
1080187.59
1544988.55
5,8,12-Trihydroxy-2-oxododecanoic acid(None)
494422.57
546243.72
5-ATP*,*ATP(13C_1)
261841.18
11882653.24
5-ATP*,*ATP(13C_5)
1407578.31
1201623.25
5-ATP*,*ATP(13C_6)
100546.05
41480.53
5-ATP*,*ATP(None)
308648621.90
458801637.80
5-CMP*,*CMP(13C_1)
153411.73
202899.71
5-CMP*,*CMP(None)
13244408.22
22453191.93
5-Hydroxy-2-nitrobenzoic acid(None)
4615134.81
6180624.82
5-Hydroxy-DL-tryptophan(13C_1)
61576.16
-
5-Hydroxy-DL-tryptophan(None)
6663038.73
8601607.91
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedio...
33497.04
33940.27
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedio...
500553.37
668627.69
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None)
262659.60
486589.95
6-Hydroxycaproic acid(None)
268152.71
1130919.76
6-Oxohexanoic acid(13C_1)
36687.55
401032.19
6-Oxohexanoic acid(None)
6942408.28
12361338.73
6-Phosphogluconate(6PG)(13C_1)
42661.80
250448.64
6-Phosphogluconate(6PG)(None)
33099449.49
37581766.43
8-Amino-7-oxononanoic acid(13C_1)
95341.20
109484.00
8-Amino-7-oxononanoic acid(None)
19376898.01
5683353.21
(+/-)9-HpODE(None)
20581.15
18309.06
9-Oxononanoic acid(13C_1)
17542.39
40428.79
9-Oxononanoic acid(None)
1558549.10
1898901.69
Adipic acid(13C_1)
53570.65
138246.95
Adipic acid(None)
7478350.54
6160598.01
alpha-ketoglutarate(13C_1)
100449.81
136490.52
alpha-ketoglutarate(13C_2)
218707.75
449611.80
alpha-ketoglutarate(13C_3)
1967190.50
2895364.69
alpha-Ketoglutarate(13C_3)
411260.35
325089.65
alpha-ketoglutarate(13C_4)
480223.98
1106243.84
alpha-Ketoglutarate(13C_4)
60141.37
10540.41
alpha-ketoglutarate(13C_5)
16822014.17
36917632.60
alpha-Ketoglutarate(13C_5)
6523595.72
7859640.73
alpha-ketoglutarate(None)
13758719.63
15806032.49
alpha-Ketoglutarate(None)
4031959.13
2621570.60
Aminolevulinic acid(None)
1945862.67
2744841.25
Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid...
19588969.19
18172070.84
Asp-Ala(13C_5)
1001470.59
1566859.11
Asp-Ala(None)
11036795.51
14345520.12
Aspartic acid(13C_1)
439369.59
178985.36
Aspartic acid(13C_2)
4953265.97
3014480.48
Aspartic acid(13C_3)
4383064.21
6866053.50
Aspartic acid(13C_4)
29002050.93
24930898.25
Aspartic acid(None)
50306726.37
30021622.15
Azelaic acid(13C_1)
441175.71
61983.22
Azelaic acid(None)
15358029.16
13065929.67
Benzenol(None)
721975.75
1117427.39
Benzoresorcinol(None)
857189.12
737614.98
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(13C_1)
-
286865.61
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None)
1854588.03
2178842.03
Biacetyl(13C_1)
29458.09
29431.11
Biacetyl(13C_2)
77846.56
137124.65
Biacetyl(13C_3)
740337.44
1030479.99
Biacetyl(None)
955562.85
990617.61
Brassylic acid(13C_1)
31964.87
35300.43
Brassylic acid(None)
1242078.74
1857743.13
Butylparaben(None)
5761544.05
5051776.97
Capryloylglycine(13C_1)
39400.77
46695.45
Capryloylglycine(None)
1045606.89
1454075.47
CDP(None)
4337605.22
5527240.10
cis-2-Carboxycyclohexyl-acetic acid(None)
441398.30
933089.74
cis-Aconitate(13C_1)
355230.71
620024.22
cis-Aconitate(13C_2)
2080299.41
1948035.85
cis-Aconitate(13C_3)
1776402.17
3489394.72
cis-Aconitate(13C_4)
10452523.90
11836278.06
cis-Aconitate(13C_5)
1707047.70
4433559.88
cis-Aconitate(None)
21755761.18
15091412.33
Citrate(13C_1)
26388018.57
4660975.51
Citrate(13C_2)
34180072.05
48035201.69
Citrate(13C_3)
19438881.82
75421769.94
Citrate(13C_4)
100940319.62
280836885.48
Citrate(13C_5)
19479517.28
74168760.89
Citrate(None)
296813213.27
408098299.88
Citrulline(None)
244411.55
1152230.81
CMPF*,*Isoamyl Gallate(13C_1)
12740.29
27955.76
CMPF*,*Isoamyl Gallate(None)
1032113.90
906113.69
CTP(None)
18327710.47
11718757.60
Decenedioic acid(13C_1)
70929.72
17026.90
Decenedioic acid(None)
1476960.62
1723764.76
D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1)
421969.69
760894.10
D-fructose-1,6-bisphosphate (F1, 6BP)(None)
19778780.57
30165378.84
D-Fructose-6-Phosphate(F6P)(None)
2002865.95
2895776.04
D-(-)-Fructose*,*Hexose(13C_1)
218890.70
51640.38
D-(-)-Fructose*,*Hexose(None)
25270372.44
25741725.56
D-gamma-Glu-Gly(13C_2)
-
240582.09
D-gamma-Glu-Gly(None)
9407271.41
10202107.48
D-Glucose-6-Phosphate(G6P)(None)
935797.29
2357875.52
D-Glyceraldehyde3-Phosphate(GADP)(None)
470410.80
821298.39
Dibutyl dodecanedioate(None)
100417.36
136977.29
Diethyl (2-oxocyclohexyl)malonate(None)
200400.85
328888.20
Diethylpyrocarbonate(None)
811421.00
802985.50
Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phos...
7263320.89
14706497.22
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1)
13307.99
9989.28
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None)
564479.57
603805.78
Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1)
3634.62
20253.60
Dimethyl 2-hydroxy-7-methyloctanedioate(None)
549164.93
687971.77
Dinitro-ortho-cresol(None)
338697.64
582021.38
Di-tert-butyl malonate(None)
-
137654.20
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C...
116656.49
156946.14
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C...
1397174.85
1356437.12
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C...
10652698.16
14729401.80
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(Non...
8916729.96
6854580.38
DL-alpha-Glycerol phosphate(None)
3481250.36
5627736.49
DL-Glyceric acid(None)
1728124.86
2231434.21
DL-p-Hydroxyphenyllactic acid(13C_8)
68987.40
87558.75
DL-p-Hydroxyphenyllactic acid(None)
812867.41
793907.15
Erythrose, 4-phosphate(None)
108271.06
119100.23
Ethylene dodecanedioate(None)
27050.82
19249.90
Ethyl myristate(None)
58186.17
68414.65
fMet(None)
1758375.45
2493588.87
Fructose(None)
643149.39
1527062.36
Fumaric acid(13C_1)
379385.97
379330.65
Fumaric acid(13C_2)
2665833.74
2769467.31
Fumaric acid(13C_3)
3249102.82
8162469.77
Fumaric acid(13C_4)
20546988.95
28730296.77
Fumaric acid(None)
27359473.63
25606758.75
gamma-Glu-gln(13C_10)
697177.52
1565605.09
gamma-Glu-gln(13C_5)
795004.91
1083147.33
gamma-Glu-gln(None)
490254.68
816488.18
Gluconic acid(None)
65178595.17
76675622.62
Glucose(None)
4061931.58
6940125.69
Glucuronolactone*,*Vitamin C(13C_1)
15645.74
-
Glucuronolactone*,*Vitamin C(None)
1992852.80
4704907.70
Glutaric acid(13C_1)
112277.31
149318.10
Glutaric acid(13C_2)
-
101522.58
Glutaric acid(None)
5435465.84
5568665.26
glycerol 1,2-cyclic phosphate(13C_1)
-
102392.73
glycerol 1,2-cyclic phosphate(None)
10974935.03
16619331.42
Glycerophosphoglycerol(None)
15768912.79
23832379.50
Glycerylphosphorylethanolamine(None)
5041863.76
8439434.44
Guanosine 5^-diphosphate (GDP)*,*GDP(None)
8199018.98
11310962.13
Hexanoic acid(13C_1)
50732.96
31656.20
Hexanoic acid(None)
3433638.43
2648302.77
H-HIS-ARG-OH(13C_1)
30397.67
31936.14
H-HIS-ARG-OH(None)
1232215.28
2436122.16
Histidine(None)
97199922.99
140598504.45
(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2...
10204092.55
19137001.11
Indole-3-aldehyde(None)
466016.84
566299.38
indole-3-lactic acid(None)
168028.12
195892.82
Isocitrate(13C_1)
7174318.65
2682683.64
Isocitrate(13C_2)
30984399.19
30215658.73
Isocitrate(13C_3)
21899587.86
54541377.92
Isocitrate(13C_4)
148230044.12
193230339.20
Isocitrate(13C_5)
18908432.46
67183348.14
Isocitrate(None)
159427985.88
293073857.25
Itaconic acid(13C_1)
199322.36
212205.00
Itaconic acid(13C_2)
435815.56
465754.40
Itaconic acid(13C_3)
641455.56
1122361.91
Itaconic acid(13C_4)
3005025.40
4856974.45
Itaconic acid(None)
5364134.25
4939602.07
Lactate(13C_1)
1808154.61
-
Lactate(13C_3)
563053.47
745472.73
Lactate(None)
299728710.00
485428813.48
L-alpha-Aminoadipic acid(13C_1)
941725.43
2239052.40
L-alpha-Aminoadipic acid(None)
110753372.58
69953151.02
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)...
59057.32
17631.09
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)...
182840.01
341533.70
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)...
784283.64
580851.50
L-Glutathione oxidized(13C_1)
66108.14
83608.20
L-Glutathione oxidized(13C_10)
444216.22
1892335.38
L-Glutathione oxidized(13C_11)
-
11309.28
L-Glutathione oxidized(13C_3)
-
108315.44
L-Glutathione oxidized(13C_4)
103301.44
141270.31
L-Glutathione oxidized(13C_5)
3314889.57
5683437.84
L-Glutathione oxidized(13C_9)
-
105755.46
L-Glutathione oxidized(None)
6823100.95
4086588.75
L-Glutathione (reduced)*,*Glutathione(13C_3)
5367078.88
12891340.41
L-Glutathione (reduced)*,*Glutathione(13C_4)
4317168.85
9387896.08
L-Glutathione (reduced)*,*Glutathione(13C_5)
135580104.54
353021529.18
L-Glutathione (reduced)*,*Glutathione(None)
616974330.50
526051224.57
L-Proline(13C_5)
396508.07
896655.85
L-Proline(None)
4487717.90
5052836.67
L-Pyroglutamic acid(13C_1)
45991.10
155198.06
L-Pyroglutamic acid(13C_2)
43436.13
148057.22
L-Pyroglutamic acid(13C_3)
598467.77
1115873.71
L-Pyroglutamic acid(13C_4)
1103986.96
1526994.56
L-Pyroglutamic acid(13C_5)
34826147.45
59212531.79
L-Pyroglutamic acid(None)
14534862.39
17464205.59
L-Threonic acid(13C_1)
767095.64
-
L-Threonic acid(None)
40686980.66
70766045.93
L-Tyrosine methyl ester(None)
1771552.21
1710585.33
Malate(13C_1)
8820430.27
7002280.36
Malate(13C_2)
51982188.18
58933131.14
Malate(13C_3)
62974674.39
149654467.32
Malate(13C_4)
397702313.93
533972496.73
Malate(None)
576724950.58
515788595.12
Maleic acid(13C_1)
151586.05
186140.72
Maleic acid(13C_2)
1133189.76
1420419.87
Maleic acid(13C_3)
1566467.50
3715359.08
Maleic acid(13C_4)
7392930.67
13172253.99
Maleic acid(None)
15952048.18
14147613.63
Malonic acid(None)
4158517.94
3952900.76
Mesyl anhydride(None)
2729001.05
2725378.45
Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None)
195344.74
415814.74
Methyl 3,5-dinitrosalicylate(None)
1369617.55
1260369.87
Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None)
2735310.73
4172295.60
Methyl acetoacetate*,*Levulinic acid(13C_1)
-
63425.20
Methyl acetoacetate*,*Levulinic acid(None)
1745798.27
3373629.31
Methyl [(methylsulfonyl)oxy]acetate(None)
316403.13
199023.32
Methyl N,S-dihexanoylcysteinate(13C_1)
82588.89
41141.87
Methyl N,S-dihexanoylcysteinate(None)
868983.57
746532.47
[(Methylsulfonyl)oxy]acetic acid(None)
2840274.30
2150429.83
Methyl tyrosinate(None)
63398333.31
64603652.81
Myristyl sulfate(None)
97683.99
193825.83
N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None)
838317.59
840767.82
N-Acetyl-1-aspartylglutamic acid(None)
6394760.80
14201009.47
N-Acetylalanine(13C_1)
246319.51
-
N-Acetylalanine(13C_2)
13569.82
91172.79
N-Acetylalanine(None)
4717000.79
5159500.22
N-Acetylaspartic acid(13C_3)
57266.00
570799.03
N-Acetylaspartic acid(13C_4)
610985.92
1852491.23
N-Acetylaspartic acid(None)
47733203.93
83730993.24
N-Acetyl-L-cysteine(13C_1)
266762.00
241991.66
N-Acetyl-L-cysteine(13C_2)
-
39584.72
N-Acetyl-L-cysteine(None)
5067705.72
4931569.99
N-Acetyl-L-glutamic acid(13C_1)
217767.72
205825.05
N-Acetyl-L-glutamic acid(13C_3)
-
6914.79
N-Acetyl-L-glutamic acid(13C_5)
562018.82
1389227.68
N-Acetyl-L-glutamic acid(13C_7)
-
178014.43
N-Acetyl-L-glutamic acid(None)
28209071.24
41281089.71
N-Acetylneuraminic acid(13C_1)
191365.21
-
N-Acetylneuraminic acid(None)
20934900.84
42879582.99
N-(Adamantan-1-ylcarbonyl)alanine(13C_1)
370941.37
133767.04
N-(Adamantan-1-ylcarbonyl)alanine(None)
5502139.98
4842683.49
NADH(None)
328912.13
217305.80
O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydr...
484606.34
600029.31
O-Acetylserine(13C_1)
733047.53
982224.15
O-Acetylserine(None)
62003217.60
85774371.14
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy...
212228.68
244448.28
Orotic acid(13C_1)
115779.88
-
Orotic acid(13C_2)
-
268129.72
Orotic acid(13C_3)
612835.91
1350921.69
Orotic acid(13C_4)
2261120.32
4666845.25
Orotic acid(None)
3813139.68
6680855.63
Orotidine(13C_4)
1038388.98
1165328.31
Orotidine(None)
6578644.97
8239491.24
Pantothenic acid(None)
241395246.12
337655882.43
P-DMEA(None)
5306615.67
4633982.79
Phosphocreatine(13C_1)
1665742.14
2145222.10
Phosphocreatine(13C_3)
126450.95
-
Phosphocreatine(None)
41795579.34
55690298.08
phosphoenolpyruvate (PEP)(None)
4687667.49
3907428.00
Phosphoric acid(None)
816941648.90
995587143.60
Phthalic acid(13C_8)
78158.55
-
Phthalic acid(None)
765916.45
677769.70
Pseudouridine(None)
851859.78
1669207.01
Pyrophosphoric Acid(None)
146461969.19
174851588.92
Pyruvate(13C_2)
-
30494.88
Pyruvate(13C_3)
288738.49
481387.40
Pyruvate(None)
7092271.80
8187286.86
Quinolinic Acid(13C_1)
-
5530.42
Quinolinic Acid(None)
2100221.90
2902900.01
(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None)
581674.75
1346733.52
S-3-oxodecanoyl cysteamine(13C_1)
38777.87
287591.68
S-3-oxodecanoyl cysteamine(None)
2881829.67
4842670.58
Salicylic acid(13C_1)
82014.94
211579.38
Salicylic acid(None)
7038154.15
9111087.25
Sorbitol(None)
883531.92
1117040.07
Suberic acid(13C_1)
318137.80
251168.34
Suberic acid(None)
5653773.66
5575313.41
Succinate(13C_1)
162895.38
126923.97
Succinate(13C_2)
1296024.73
1194235.53
Succinate(13C_3)
232307.95
352428.58
Succinate(13C_4)
8660434.72
12732662.84
Succinate(None)
23833291.55
17594316.41
Taurine(13C_1)
308477.90
222884.63
Taurine(None)
25873942.74
31025873.61
Terephthalic acid(13C_1)
-
149126.13
Terephthalic acid(None)
8662983.69
4797585.35
Threonine(None)
31221158.16
34178427.46
Timonacic(None)
2777237.18
4160525.45
TIQ-A(13C_2)
874129.79
542419.61
TIQ-A(13C_3)
593824.85
1169010.04
TIQ-A(13C_4)
4680521.60
4062019.07
TIQ-A(None)
8303623.39
5181430.14
trans-4-Hydroxy-L-Proline(None)
2821879.38
3705373.74
Trifluoroacetic acid(13C_1)
63433288.92
5267875.60
Trifluoroacetic acid(None)
4661435787.00
5175829357.68
UDP-GALC NAC(13C_2)
282868.56
471489.68
UDP-GALC NAC(13C_3)
189566.74
474403.64
UDP-GALC NAC(None)
14489041.68
20025236.65
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_1)
98698.98
-
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_2)
-
25855.05
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3)
138892.27
609327.78
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None)
12431577.82
17980367.84
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate...
27944.02
306031.46
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate...
12498063.41
16320105.19
Ureidosuccinic acid(13C_1)
-
42330.46
Ureidosuccinic acid(13C_3)
824721.79
1966163.82
Ureidosuccinic acid(13C_4)
3377566.03
8285055.91
Ureidosuccinic acid(13C_5)
-
60321.32
Ureidosuccinic acid(None)
4988628.43
8401167.23
Uridine 5^-diphosphate (UDP)*,*UDP(13C_1)
35530.31
-
Uridine 5^-diphosphate (UDP)*,*UDP(13C_3)
63797.94
151653.51
Uridine 5^-diphosphate (UDP)*,*UDP(None)
2876607.86
3752707.80
U,(Uridine)(13C_3)
-
81743.30
U,(Uridine)(13C_5)
430338.21
716192.26
U,(Uridine)(None)
4611151.72
7506567.69
Valine(None)
8791438.56
11016128.28
Xanthine(None)
44742.24
73656.50
β-Alanine*,*Alanine(13C_1)
18284.32
-
β-Alanine*,*Alanine(13C_2)
134908.55
149284.58
β-Alanine*,*Alanine(13C_3)
1387530.16
1232240.67
β-Alanine*,*Alanine(None)
1731033.80
1163098.72
Factors:
F1
Treatment:Control
F2
Treatment:NA
F3
Treatment:Pimozide
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