Data for ST001764
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1-methylnicotinamide | - | - | - | - | |
| 2,3-BPG | 2621310.45 | 6704757.75 | 4076975.22 | 4125316.56 | |
| 2-aminoadipate | 20992282.64 | 2904642.62 | 19014456.89 | 37378954.11 | |
| 2-aminobutyric_acid | - | - | - | - | |
| 2-hydroxybutyric_acid | - | - | - | - | |
| 2-hydroxyglutarate | 1289556170.27 | 32434634.25 | 2068093712.22 | 2051715185.89 | |
| 2-oxoadipate | 2040134.00 | - | - | - | |
| 2-oxobutyric_acid | - | - | - | 1723032.00 | |
| 3-hydroxybutyrate | 2714914.00 | - | - | - | |
| 3-methyl-2-oxobutyrate | 2216779.18 | 2014047.50 | 2854460.89 | 3657657.00 | |
| 3-methyl-2-oxopentanoic_acid | 31703099.00 | 19151433.00 | 43662673.11 | 45668937.33 | |
| 3-phosphoglycerate | 39982234.27 | 73945427.75 | 61047905.22 | 46333031.11 | |
| 3-ureidopropionate | - | - | - | - | |
| 5-Hydroxyindole-3-Acetate | - | 303093.17 | 330555.00 | - | |
| 6-phosphogluconate | 970406.67 | 429978.38 | 1943815.11 | 1360636.89 | |
| acetoacetate | 8688865.00 | 881520.00 | 28504780.38 | 10266611.86 | |
| acetylalanine | - | - | - | - | |
| acetylaspartate | 11892584.73 | 15472027.75 | 15923989.22 | 15650852.56 | |
| acetylcarnitine | 703742057.00 | 1049724621.38 | 1007611670.67 | 933092833.67 | |
| Acetyl CoA | 5994037.55 | 8383844.75 | 9658751.67 | 8583968.33 | |
| acetylglutamate | 2096471.09 | 2234318.62 | 2437076.56 | 3609523.11 | |
| acetylglycine | - | - | - | - | |
| acetylmethionine | 306963.10 | 581756.50 | 370442.89 | 480690.75 | |
| acetylserine | 25840400.45 | 48207846.38 | 29562735.11 | 33121006.22 | |
| adenine | 24165909.08 | - | 71903661.25 | 164417991.33 | |
| adenosine | 1159811.00 | - | - | 10327782.00 | |
| ADP | 13761645.36 | 8499111.88 | 21241899.44 | 24722344.44 | |
| ADP-ribose | - | 22311.00 | - | - | |
| AICAR | 10793990.64 | 21454585.12 | 15474079.00 | 14897437.67 | |
| alanine | 388680382.64 | 527248198.12 | 536819314.33 | 492673009.67 | |
| alanine-13C3-15N | 1555549.00 | 1707813.00 | 2120785.78 | 2590865.00 | |
| allantoin | - | - | - | - | |
| Alpha-Ketoglutarate | 26054954.00 | 20795689.88 | 42995611.25 | 50335097.00 | |
| Alpha-Lipoic Acid | - | - | - | - | |
| AMP | 4423882.82 | 961533.38 | 4830232.44 | 5509781.11 | |
| anserine | 1879175.89 | 653051.50 | 1904083.89 | 1945555.00 | |
| arginine | 2155406176.92 | 2496802476.00 | 3328303007.56 | 3032672029.89 | |
| arginine-13C6,15N4 | 141126047.82 | 190688717.50 | 181546240.67 | 177491387.56 | |
| argininosuccinate | 38982693.64 | 50458234.50 | 50042779.33 | 48317993.33 | |
| ascorbate | 14848465905.91 | 3694390.75 | 21983649353.62 | 27009816690.67 | |
| asparagine | 158805429.27 | 189856841.88 | 206224774.22 | 232503441.00 | |
| aspartate | 122003755.00 | 563611250.75 | 193624195.78 | 141379214.67 | |
| aspartate-13C6-15N4 | 2976336.45 | 18926881.50 | 4894756.33 | 3252248.56 | |
| asymmetric dimethylarginine (ADMA) | - | - | - | - | |
| ATP | 109405288.55 | 225392819.62 | 185188908.67 | 144014198.78 | |
| beta-alanine | 57194788.73 | 74807721.00 | 74752070.89 | 76298023.11 | |
| betaine | 645266899.27 | 834939535.50 | 916250619.78 | 861880007.00 | |
| biotin | 95406210.18 | 91740416.25 | 108634933.89 | 102726252.44 | |
| Butyrylcarnitine | 88794902.73 | 149689522.25 | 151815146.11 | 111851012.67 | |
| C5 Carnitines | 535385571.27 | 775090779.00 | 778779731.78 | 712527545.56 | |
| cAMP | 1519368.82 | 2196516.50 | 1758199.67 | 2079222.22 | |
| Carbamoyl Aspartate | 364187.00 | 2039320.88 | 909041.50 | 549760.00 | |
| carnitine | 1216585224.00 | 1823039944.62 | 1828567042.89 | 1741407837.89 | |
| carnosine | 24316472.73 | 30059700.75 | 24539366.44 | 26744301.00 | |
| CDP | 1870092.82 | 3377669.75 | 2809620.89 | 2493517.44 | |
| CDP-choline | - | - | - | - | |
| choline | 35726452.00 | 43519751.00 | 51347416.22 | 51338126.11 | |
| cis-aconitate | 33097957.64 | 44869231.12 | 55634433.78 | 39633211.22 | |
| citrate | 654358069.82 | 1281396643.62 | 936853048.00 | 758736330.78 | |
| citrulline | 15585290.91 | 10509964.88 | 17211733.78 | 23773363.89 | |
| CMP | 268899.00 | 416274.50 | 379878.88 | 380616.67 | |
| CoA-Ellmans | - | - | - | - | |
| Coenzyme A | - | 3620563.50 | 2663186.33 | 1631415.00 | |
| creatine | 15128290953.33 | 20482725484.56 | 22341249087.22 | 20362336531.67 | |
| creatinine | 227238034.42 | 333786872.38 | 403507405.78 | 287982656.33 | |
| CTP | 15743329.18 | 26259988.12 | 24637453.78 | 19845107.44 | |
| cystathionine | 80032490.82 | 103004662.00 | 103210645.33 | 102119001.44 | |
| cysteic_acid | - | - | - | - | |
| cysteine | - | - | - | - | |
| cysteine_13C3_15N1 | - | - | - | - | |
| cysteine-glycine | - | - | 134393.50 | - | |
| cystine | 15007589.09 | 8216337.75 | 49717625.33 | 19060778.44 | |
| cytidine | 1195201.67 | 626192.50 | 1792651.89 | 3336875.44 | |
| cytosine | 13094706.56 | 863924.62 | 7791800.56 | 18948696.33 | |
| dATP | 1657456.73 | 2406813.25 | 2569586.67 | 2173603.56 | |
| dCytidine | 3390819.64 | 6676452.38 | 4546338.89 | 5258589.11 | |
| dihydrofolate | - | - | - | - | |
| dihydroorotate | - | - | - | - | |
| dihydroxyacetone_phosphate | 12882091.45 | 96641012.25 | 23166789.89 | 16333688.11 | |
| dimethylglicine | - | - | - | - | |
| dTMP | 165727.83 | 375266.88 | 571227.75 | 588276.00 | |
| dTTP | 2303760.64 | 5185430.88 | 3753653.11 | 2876695.44 | |
| dUMP | 56800585.45 | 71217768.62 | 81879365.57 | 92414028.17 | |
| erythrose_4-phosphate | 315992.25 | 778300.25 | 430705.25 | 428114.50 | |
| F6P_G1P | 4268305.91 | 9789240.38 | 5888164.67 | 5326486.67 | |
| FAD | 2428236.27 | 3709495.12 | 3580247.11 | 3329966.22 | |
| folate | 114549.18 | 323379.38 | 189340.67 | 98798.22 | |
| folic_acid | 691424.78 | 651884.38 | 757669.11 | 676868.33 | |
| formyl_methionine | 941208.27 | 4387845.88 | 6031395.89 | 1682625.67 | |
| Fructose 1,6-bisphosphate | - | - | - | - | |
| fumarate | 25882073.18 | 46163119.12 | 34842158.67 | 30666943.78 | |
| gamma-aminobutyric_acid | - | - | - | - | |
| gamma-glutamyl-alanine | 5513057.27 | 3231673.50 | 4845691.78 | 6484670.22 | |
| GAR | 21405652.00 | 35456522.12 | 25571114.33 | 25628826.78 | |
| GDP | 1252876.55 | 645563.38 | 2081648.44 | 2531919.22 | |
| glucose | 22382.00 | 6266271.12 | 10379454.00 | - | |
| Glucose 6-phosphate | 3450727.55 | 8027676.88 | 5328461.89 | 4235803.56 | |
| glutamate | 671775055.64 | 1326817277.50 | 892397811.78 | 814707444.33 | |
| glutamate-13C5,15N | 3614784.73 | 7574252.88 | 4615803.78 | 4383436.89 | |
| glutamine | 3132248630.45 | 2817574711.88 | 4253186687.00 | 4686616445.56 | |
| glyceraldehyde_3-phosphate | - | - | - | - | |
| glycerate | 189838057.36 | 506987105.25 | 241578958.33 | 167664162.44 | |
| Glycerol 3-Phosphate | 1618180.00 | 2943634.75 | 2135965.33 | 2084199.78 | |
| Glycerophosphocholine | 2253145769.85 | 2774812678.11 | 3800758287.67 | 3786383535.44 | |
| glycine | 7165592.09 | 9818896.12 | 9648997.67 | 10058279.11 | |
| glycine_13C2-15N | - | - | - | - | |
| GMP | 94702.14 | 70312.50 | 277501.50 | 227080.50 | |
| GSH | 8644922.00 | 2735488293.12 | 3436477568.44 | 4014243239.00 | |
| GSH-13C2_15N | - | 37362094.50 | 9428126.00 | - | |
| GSH_13C2-15N-Ellmans | 253591.20 | - | - | 181088.00 | |
| GSH_Ellmans | 128125672.82 | 965038.00 | - | 241346317.00 | |
| GSSG | 65768780.27 | 301189038.88 | 120146021.67 | 26092797.11 | |
| GTP | 7370679.09 | 14085615.75 | 12686470.67 | 9631812.67 | |
| guanidinoacetate | 1027427.44 | - | 999070.38 | 1208790.50 | |
| guanine | 11212656.73 | 456431.67 | 8701212.62 | 17427117.44 | |
| guanosine | - | 124024.00 | - | - | |
| histidine | 777000044.36 | 763480705.50 | 892957471.67 | 1047901865.22 | |
| histidine-13C6-15N3 | 162003887.45 | 178932114.38 | 184892860.33 | 199800112.67 | |
| homocitrulline | 1634403.89 | 1833658.88 | 1579172.33 | 1775076.33 | |
| homocysteine | - | - | - | - | |
| hydroxyproline_gammaALA | 48204496.09 | 88342010.62 | 65558183.33 | 60439782.56 | |
| hypotaurine | 71097830.18 | 74011898.12 | 124094351.56 | 126149241.33 | |
| hypoxanthine | 5360479.60 | - | 3789087.56 | 16604476.67 | |
| IMP | 1522499.60 | 1991434.50 | 2107050.44 | 2058713.89 | |
| indolelactate | - | - | - | - | |
| inosine | 419963.38 | 926924.25 | 740804.33 | 635058.29 | |
| isoleucine | 371176355.91 | 524069334.75 | 495644334.11 | 577491384.33 | |
| Isoleucine-13C6-15N | 44195681.36 | 52512565.62 | 56033028.78 | 68855224.56 | |
| Itaconic Acid | 957155231.09 | 10772805.88 | 1545532079.89 | 1535512134.22 | |
| Kynurenic Acid | 2053828.62 | 1352171.00 | 1558518.33 | 1897396.89 | |
| kynurenine | 4789057.09 | 4522593.50 | 4970564.56 | 7764797.11 | |
| lactatic_acid | 748294132.23 | 1150887688.67 | 965210000.44 | 1283415599.78 | |
| leucine | 323838754.36 | 386293344.12 | 404487226.56 | 498840934.56 | |
| leucine-13C6-15N | 38663466.73 | 45108557.88 | 46410776.11 | 58284362.00 | |
| lysine | 76301229.64 | 71610801.75 | 100947320.78 | 102205535.44 | |
| lysine-13C6-15N2 | 20274040.36 | 25544825.12 | 28126996.89 | 25688713.44 | |
| malate | 178907525.00 | 333248864.12 | 232688356.00 | 222305361.22 | |
| mannose | - | - | - | - | |
| methionine | 227858654.09 | 233771197.88 | 289854877.67 | 350992263.00 | |
| methionine-13C5-15N | 65942846.09 | 74778634.75 | 82159948.11 | 105809690.67 | |
| Methionine sulfoxide | 142499221.82 | 309853124.25 | 166756947.11 | 132625891.78 | |
| methylthioadenosine | 133586218.64 | 205103708.88 | 192595498.00 | 183449541.67 | |
| myo-inositol | - | - | - | - | |
| N2-acetyllysine | 6565550.78 | 4378599.25 | 7176672.22 | 8375302.00 | |
| N-acetylcysteine | - | - | - | - | |
| N-acetylglutamate | 1994819.55 | 1987694.33 | 2351224.89 | 3630800.89 | |
| N-acetylglutamine | 4793361.18 | 4986847.75 | 5452058.00 | 5909199.44 | |
| N-acetylmethionine | 311665.40 | 581756.50 | 370442.89 | 480690.75 | |
| N-acetylornithine | - | - | - | - | |
| N-acetylphenylalanine | - | - | - | - | |
| NAD+ | 163308480.00 | 254431485.62 | 255629599.22 | 238652341.00 | |
| NADH | 4182467.91 | 3778473.71 | 1858338.60 | 6060807.22 | |
| NADP | 7936132.82 | 12131017.75 | 12031140.11 | 6002671.67 | |
| NADPH | 721078.86 | - | 378894.29 | 4692755.11 | |
| niacinamide | 118194477.73 | 198119635.25 | 171975917.89 | 129416017.56 | |
| Nicotinic Acid | - | - | - | - | |
| O-phosphoethanolamine | 6465775.09 | 10601192.50 | 8433837.89 | 8572378.67 | |
| ornithine | 57181855.91 | 45637645.25 | 64481678.56 | 88324550.67 | |
| orotate | 5896216.36 | 9693082.75 | 8437229.78 | 5796090.33 | |
| palmitate | 93528571.09 | 129002833.38 | 116486806.67 | 148405754.11 | |
| p-aminobenzoate | - | - | - | - | |
| Pantothenate | 3364474731.73 | 4013409572.88 | 4132539398.89 | 3465169347.00 | |
| Phenylacetyl glutamine | 139394.00 | 119324.00 | 259235.50 | 987852.17 | |
| phenylalanine | 102657865.82 | 146161873.50 | 137534010.11 | 136503964.56 | |
| phenylalanine-13C9-15N | 139327521.09 | 148648977.62 | 123236731.89 | 250508711.11 | |
| phosphocholine | 20972763550.67 | 27003522766.62 | 33232649402.33 | 31499177971.22 | |
| phosphocreatine | 992679236.64 | 1145811525.38 | 1495641792.89 | 1471824725.33 | |
| phosphoenolpyruvate | 16754194.00 | 26093624.88 | 25072400.22 | 20282852.11 | |
| phosphoethanolamine | 9688253.45 | 14018312.12 | 13564572.33 | 13019565.22 | |
| phosphoserine | 532742.80 | 1192120.12 | 868224.00 | 737891.67 | |
| Picolinate | - | - | - | - | |
| Pipecolate | 7781622.18 | 7687339.50 | 11944293.22 | 11486030.00 | |
| Piridoxine | 101322077.64 | 168342277.62 | 190495286.89 | 125939168.67 | |
| proline | 2789184261.55 | 3254912073.88 | 3856045789.11 | 3779501042.22 | |
| proline-13C5-15N | 158280340.00 | 211495043.88 | 210968774.56 | 215178732.56 | |
| propionylcarnitine | 202431112.27 | 290967994.50 | 293910017.89 | 251429457.00 | |
| PRPP | 6329620.00 | 7792732.75 | 8306795.33 | 9700373.11 | |
| pseudouridine | 345326.91 | 1349286.88 | 572196.78 | 385267.67 | |
| Pyridoxal | 3600501.73 | 8845677.00 | 7637071.56 | 4319293.56 | |
| pyruvate | - | 22100038.25 | 12107480.00 | 16944206.00 | |
| Riboflavin | - | - | - | - | |
| Ribose 1-phosphate | 2931597.00 | 7730934.62 | 4100789.89 | 3776737.33 | |
| Ribose_Ribulose 5-phosphate | 2894213.91 | 7680309.00 | 4096530.11 | 3765951.78 | |
| saccharopine | - | - | - | - | |
| S-Adenosyl-L-Homocysteine | 22624708.73 | 32345685.88 | 28184599.33 | 29751599.67 | |
| S-Adenosyl-L-methionine | 296089377.82 | 262974293.00 | 329713377.22 | 333613102.22 | |
| sarcosine | 1529328.36 | 1081374.00 | 2687686.00 | 2526762.33 | |
| Sedoheptulose-7-phosphate | 2349596.91 | 5273475.50 | 3184819.11 | 2805858.44 | |
| serine | 42425376.18 | 45504197.00 | 51202799.44 | 76655246.11 | |
| serine-13C3-15N | 945403.00 | 1446128.50 | 900685.56 | 1264565.67 | |
| S-methylcysteine | 403075.71 | 125247.62 | 409637.67 | 428729.44 | |
| succinate | 29010461.25 | 11748645.12 | 52803458.44 | 42654560.44 | |
| taurine | 716792943.00 | 1638893824.38 | 1106447372.78 | 969127349.44 | |
| thiamine | - | - | - | - | |
| threonine | 148546133.82 | 172606493.75 | 195897374.56 | 215719857.11 | |
| threonine-13C4-15N | 9829763.45 | 12088435.62 | 12615036.33 | 13904323.89 | |
| thymidine | - | - | 18573.00 | - | |
| trans-urocanic acid | 197246963.73 | 90223386.50 | 130556250.33 | 653832087.56 | |
| trimethyllysine | 3309594.18 | 8982870.62 | 4394424.00 | 3969677.22 | |
| tryptophan | 106398682.09 | 104157725.88 | 120814501.33 | 167457584.44 | |
| tyrosine | 215808279.91 | 222939398.50 | 291085645.11 | 318564061.11 | |
| tyrosine-13C9-15N | 47969731.36 | 58164342.62 | 64575220.78 | 68112286.33 | |
| UDP | 80020119.55 | 103890282.25 | 105971028.78 | 102648095.89 | |
| UDP-GlcNAc | 35718121.64 | 55277658.00 | 51263981.00 | 49521848.56 | |
| UDP-hexose | 68504493.36 | 178855527.75 | 101428799.89 | 87948970.22 | |
| UMP | 2714830.36 | 2141345.38 | 3586416.00 | 3767527.22 | |
| uracil | - | - | - | - | |
| uric acid | 13759507.45 | 57959027.75 | 21595617.67 | 15834764.33 | |
| uridine | 311410.82 | 174660.25 | 667054.89 | 562607.43 | |
| UTP | 89405852.73 | 150654939.88 | 139143858.00 | 113975584.67 | |
| valine | 105689635.00 | 115611662.12 | 134650131.56 | 169056761.67 | |
| valine-13C5-15N | 20201007.82 | 27843638.50 | 26333419.89 | 29933525.00 | |
| xanthine | 4572014.09 | 27052546.38 | 7835585.67 | 6176253.11 | |
| xanthosine | 69427.89 | 167692.75 | 91387.67 | 79952.56 |
Factors:
| F1 | Factor:- |
| F2 | Factor:buffer B |
| F3 | Factor:buffer C |
| F4 | Factor:buffer C_Ellmans |
