Data for ST001771   

(Analysis AN002878): Average values per metabolite and experimental factor (Units:ppm)

Metabolite structureAll dataF1F2
1-methylnicotinamide
- -
20201211_GSH_Ellmans
206121763.00 334411106.44
20201211_GSSG
5506087.88 10597435.94
20201211_NAD+
316684300.57 488617601.67
20201211_NADH
- 2942204.00
20201211_NADP
5864721.86 8454764.67
20201211_NADPH
876565.14 2210546.78
2,3-BPG_unc
677893.40 809391.00
2-aminobutyric_acid
29881375.50 31513949.44
2-hydroxybutyric_acid
139775.50 -
2-hydroxyglutarate
744112900.56 1362025089.22
2-oxoadipate_unc
- -
2-oxobutyric_acid_unc
8002577.71 12810714.00
3-hydroxybutyric_acid
10389017.29 16264737.78
3-hydroxyisobutyric_acid
4710152.86 7184444.83
3-methyl-2-oxopentanoic_acid
501888558.71 781472568.06
3-phosphoglycerate
26265802.14 43189438.39
3-ureidopropionate
1051335.14 1532319.67
5-Hydroxyindole-3-Acetate_unc
1302317.60 1375762.17
6-phosphogluconate
- -
acetoacetate
8073857.43 12835234.17
acetylalanine
- -
acetylaspartate
12267922.71 16837480.17
acetylcarnitine
1821702893.45 4433667508.50
Acetyl CoA
415913.33 5581616.12
acetylglutamate
1880646.57 2732373.39
acetylglycine
- -
acetylmethionine
- 735484.50
acetylserine
18173875.25 30205580.44
adenine
60465105.86 78316804.06
adenosine_unc
12372844.70 21224982.28
ADP
20712791.57 31584500.17
ADP-ribose_unc
934907.43 1551698.50
AICAR
1791685.14 2959625.35
alanine
275757169.78 501248811.50
alanine-13C3-15N
- -
allantoin
8903391.25 13745899.78
Alpha-Ketoglutarate
5452222.83 7479521.61
alpha-keto-isovalerate
41019494.14 64870551.50
Alpha-Lipoic Acid_unc
- -
amidoadipate
10152935.14 14583265.83
AMP
4139678.00 10722683.39
anserine_unc
10543985.57 16999842.50
arginine
3745144609.45 8377807445.06
arginine-13C6-15N4
34146754.14 49909969.72
argininosuccinate_unc
12872619.57 18441066.22
ascorbate_unc
4991362464.30 10158746188.33
asparagine
199090118.12 340680920.11
aspartate
204611536.71 287838814.61
aspartate-13C6-15N4
1928767.57 2780527.17
asymmetric dimethylarginine (ADMA)
- -
ATP
128043347.50 249403577.22
beta-alanine
46896065.43 71916813.56
betaine
3068201362.71 4682386424.17
biotin
74834301.00 105025374.00
Butyrylcarnitine
296454755.25 536461536.67
C5 Carnitines
591352475.38 1062706097.56
cAMP_unc
735238.80 955204.83
carnitine
943537883.00 2274300153.50
carnosine
91299877.14 139180210.17
CDP
567743.29 1014649.94
CDP-choline
- -
choline
31552060.43 47351809.61
cis-aconitate
36883474.00 53295726.89
citrate
696672335.29 964325791.22
citrulline
79438951.86 112713547.89
CMP
224817.86 315836.53
CoA-Ellmans_unc
816879.80 593013.11
Coenzyme A
- -
creatine
17817147697.18 37878855114.39
creatinine
503848362.30 951692280.50
CTP
5329320.43 9132146.22
cystathionine
12241612.71 19471222.11
cysteic_acid
- -
cysteine_13C3_15N1
- -
cysteine-glycine
- -
cysteine_unc
- -
cystine
27713304.86 30302256.89
cytidine
1887258.33 2767350.11
cytosine_unc
5677589.57 8581667.33
dATP
2550293.43 4264344.94
dCTP
480617.60 619986.28
dCytidine
7738590.43 11887631.00
dihydroorotate_unc
- -
dihydroxyacetone_phosphate
15909397.00 25545271.44
dimethylglicine
23274325.50 49285605.00
dTMP
- -
dTTP
497889.86 405481.22
dUMP
1477028.29 2469847.94
erythrose_4-phosphate_unc
1066385.00 1568935.11
F6P_G1P_unc
45964185.29 69841204.17
FAD
2617517.14 4082282.28
folic_acid
5887490.71 9254258.22
formyl_methionine
1836159.57 2871217.72
fructose
- 3588531.33
Fructose 1,6-bisphosphate
22249572.43 38756791.22
fumarate
26096121.57 37619285.56
gamma-aminobutyric_acid
63699008.29 99819565.39
gamma-glutamyl-alanine
4275170.43 6800472.67
GAR
1290507.86 4014124.78
GDP
1995106.14 3981631.56
glucose
25063601.00 35734675.28
Glucose 6-phosphate
15718079.71 24340444.94
glutamate
440532612.91 1001389944.56
glutamate-13C5,15N
2398586.71 3434142.89
glutamine
3158931715.82 7045850501.06
glyceraldehyde_3-phosphate
267220.00 325880.69
glycerate
138116979.71 215109719.28
Glycerol 3-Phosphate
3010108.14 4649984.67
Glycerophosphocholine
1846322949.64 4464441803.06
glycine
13951552.88 24618296.89
glycine_13C2-15N
- -
GMP
1443683.57 2251297.17
GSH
- -
GSH-13C2_15N
- -
GSH_13C2-15N-Ellmans
- -
GSH_Ellmans
162985908.43 262200564.56
GSHopti_GSH_13C2-15N-Ellmans
391944.33 666514.75
GSHopti_GSH_Ellmans
258532561.71 490499800.33
GSHopti_GSSG
5094108.00 9772527.17
GSHopti_NAD+
289766639.88 599567722.72
GSHopti_NADH
- 168995.78
GSHopti_NADP
6305616.29 10963887.17
GSHopti_NADPH
146667.43 630141.59
GSSG
3689971.71 6014219.72
GTP
8916931.29 15493326.83
guanidinoacetate
3574903.71 6103653.11
guanine
31171758.71 44989241.44
guanosine
5095094.14 6586512.44
histidine
1436651006.14 2025875373.44
histidine-13C6-15N3
40661734.86 57257624.17
homocitrulline
5055011.43 7452654.61
homocysteine
- -
hydroxyproline_gammaALA
86988926.57 126778766.44
hypotaurine
34434792.86 53199829.39
hypoxanthine
87300724.55 183655595.00
IMP
8918677.86 14760846.61
indolelactate
300383.80 397097.64
inosine
10566462.86 13912665.72
isocitrate_unc
- -
isoleucine
1562995649.00 2749556960.39
Isoleucine-13C6-15N
22837981.57 36048207.67
Itaconic Acid
602314167.88 979954647.78
Kynurenic Acid
6356059.00 10845706.39
kynurenine
25858747.71 43100738.94
lactic_acid
5243514721.11 10240935004.61
leucine
1823110715.14 2844746272.17
leucine-13C6-15N
22591166.57 35095514.28
lysine
246155027.80 557813180.11
lysine-13C6-15N2
7441141.71 11952224.50
malate
175323494.00 322098925.44
mannose
- -
methionine
565227624.38 994324773.67
methionine-13C5-15N
28725784.29 44802241.33
Methionine sulfoxide
86728938.44 177037320.39
methylthioadenosine
165015872.86 267145643.28
myo-inositol
230316836.38 405125762.00
N-acetylcysteine
- -
N-acetylglutamate
- -
N-acetylglutamine
15637592.88 27204334.22
N-acetyllysine
12474143.57 21875919.06
N-acetylmethionine
- 722625.50
N-acetylornithine
- -
N-acetylphenylalanine
1377077.43 2300753.28
NAD+
288949231.57 433493712.83
NADH
212306.00 432846.94
NADP
5561808.71 7864989.50
NADPH
403712.20 1250400.12
niacinamide
319105490.00 569973627.78
Nicotinic Acid
26350544.71 40138193.17
O-phosphoethanolamine_unc
72728717.00 110304471.83
ornithine
282782350.80 599110840.06
orotate
39338490.43 56448512.50
palmitate
20803093.90 42504113.56
p-aminobenzoate
4405087.00 4794097.94
Pantothenate
- 1409867.00
Phenylacetyl glutamine
1132772.17 2475980.44
phenylalanine
342809631.38 597170725.44
phenylalanine-13C9-15N
68556531.71 109950048.50
phosphocholine
6561064647.82 16224589817.33
phosphocreatine
698275629.91 1730609297.00
phosphoenolpyruvate
12575577.14 20670776.33
phosphoethanolamine
79709494.86 128403846.83
phosphoserine
705465.17 871970.06
Picolinate
- -
Pipecolate
17704376.25 31186977.11
proline
3671833888.64 8727168123.56
proline-13C5-15N
50401805.00 88329105.61
propionylcarnitine
246838755.09 569581481.56
PRPP_unc
216536.20 239454.50
pseudouridine_unc
14724894.12 24730885.67
Pyridoxal
32181507.14 50307801.78
Pyridoxine
804756078.57 1273024145.72
pyruvate
439801294.00 622934575.78
Riboflavin
- -
Ribose 1-phosphate_unc
3419279.43 5439639.00
Ribose_Ribulose 5-phosphate_3Me-Lys
3419279.43 5439639.00
saccharopine_unc
364235.75 359954.00
S-Adenosyl-L-Homocysteine
6307342.86 10606320.06
S-Adenosyl-L-methionine
418552933.00 606790754.00
sarcosine_unc
4825176.71 7876954.83
Sedoheptulose-7-phosphate
11309665.86 17091562.89
serine
66725542.86 104114802.61
serine-13C3-15N
743949.50 947566.00
S-methylcysteine_unc
742769.75 735215.39
sorbitol
101917981.29 156423883.44
succinate
56129204.75 98875431.28
taurine
409198244.64 959735795.61
thiamine
- -
threonine
245392141.14 381155544.22
threonine-13C4-15N
3415391.71 4998828.33
thymidine
81650.00 101966.94
trans-urocanate
62143599.00 96322036.89
tryptophan
274794798.29 434329293.00
tyrosine
486519258.25 863250552.67
tyrosine-13C9-15N
18274512.86 29415281.22
UDP
3049586.71 5918663.94
UDP-GlcNAc
46972348.71 73451876.67
UDP-hexose
24662251.57 39759476.44
UMP
1489350.00 2287255.94
uracil
16780237.83 22023250.78
Ureidosuccinic_acid
3008419.43 3834527.11
uric acid
58238429.50 92726574.56
uridine
- -
UTP
19516324.29 32737333.50
valine
551033595.43 897444548.94
valine-13C5-15N
11222382.71 18137203.00
xanthine
39292714.38 63185659.39
xanthosine_unc
961647.29 1461612.89

Factors:

F1buffer C_Ell:-
F2buffer C_Ell:buffer C_Ell
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