#METABOLOMICS WORKBENCH eso5005_20180215_063129 DATATRACK_ID:1315 STUDY_ID:ST001074 ANALYSIS_ID:AN001756 VERSION 1 CREATED_ON 03-03-2022 #PROJECT PR:PROJECT_TITLE Open source discovery of starting points for next generation chemoprotective PR:PROJECT_TITLE antimalarial drugs (Biofocus 1) PR:PROJECT_TYPE LC-MS Metabolomics PR:PROJECT_SUMMARY Hydrophilic LC-MS analysis of Biofocus 1 compounds as part of functional PR:PROJECT_SUMMARY validation of publication. PR:INSTITUTE Pennsylvania State University PR:DEPARTMENT BMB PR:LABORATORY Llinás Laboratory PR:LAST_NAME Owen PR:FIRST_NAME Edward PR:ADDRESS W-122 Millennium Science Complex, Pollock Road, University Park, PA 16802 PR:EMAIL eso5005@psu.edu PR:PHONE Lab: (814) 867-3527 PR:FUNDING_SOURCE Bill & Melinda Gates Foundation PR:PROJECT_COMMENTS RAW files not submitted as untargeted analysis likely ongoing following PR:PROJECT_COMMENTS publication PR:DOI http://dx.doi.org/10.21228/M8R38S #STUDY ST:STUDY_TITLE Open source discovery of starting points for next generation chemoprotective ST:STUDY_TITLE antimalarial drugs (Biofocus 1) ST:STUDY_TYPE Drug Exposure ST:STUDY_SUMMARY Metabolic examination/confirmation of resistance mutations observed in study ST:INSTITUTE Pennsylvania State University ST:DEPARTMENT BMB ST:LABORATORY Llinás ST:LAST_NAME Owen ST:FIRST_NAME Edward ST:ADDRESS W-122 Millennium Science Complex, Pollock Road, University Park, PA 16802 ST:EMAIL eso5005@psu.edu ST:PHONE (814) 867-3527 ST:SUBMIT_DATE 2018-02-15 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN 3D7 SU:CELL_COUNTS 1x10^8 per technical replicate SU:SPECIES_GROUP Plasmodium falciparum #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - ATQ-20170130 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170207 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170224 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170309 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170316 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170327 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170413 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170426 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170802 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20170928 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ATQ-20171019 Drug:Atovaquone | Treatment conc.:10 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV011772-20170928 Drug:MMV011772 | Treatment conc.:6040 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1010248-20171019 Drug:MMV1010248 | Treatment conc.:18795 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1068987-20171019 Drug:MMV1068987 | Treatment conc.:7931.5 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1319550-20170207 Drug:MMV1319550 | Treatment conc.:9680 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1319550-20170413 Drug:MMV1319550 | Treatment conc.:9680 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1427995-20170130 Drug:MMV1427995 | Treatment conc.:1389 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1427995-20170224 Drug:MMV1427995 | Treatment conc.:1389 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1427995-20170413 Drug:MMV1427995 | Treatment conc.:1389 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1431916-20170207 Drug:MMV1431916 | Treatment conc.:6320 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1431916-20170426 Drug:MMV1431916 | Treatment conc.:6320 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1432165-20170130 Drug:MMV1432165 | Treatment conc.:1070 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1432165-20170224 Drug:MMV1432165 | Treatment conc.:1070 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1432165-20170413 Drug:MMV1432165 | Treatment conc.:1070 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1432711-20170802 Drug:MMV1432711 | Treatment conc.:860 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1449124-20171019 Drug:MMV1449124 | Treatment conc.:482.6 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1451822-20170207 Drug:MMV1451822 | Treatment conc.:560 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1451822-20170327 Drug:MMV1451822 | Treatment conc.:560 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1454442-20170130 Drug:MMV1454442 | Treatment conc.:1730 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1454442-20170224 Drug:MMV1454442 | Treatment conc.:1730 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1454442-20170413 Drug:MMV1454442 | Treatment conc.:1730 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1490397-20170309 Drug:MMV1490397 | Treatment conc.:1250 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1490397-20170426 Drug:MMV1490397 | Treatment conc.:1250 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1490397-20171019 Drug:MMV1490397 | Treatment conc.:1250 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1490405-20170309 Drug:MMV1490405 | Treatment conc.:1130 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - MMV1490405-20170316 Drug:MMV1490405 | Treatment conc.:1130 nM Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170130 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170207 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170224 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170309 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170316 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170327 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170413 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170426 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170802 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20170928 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate SUBJECT_SAMPLE_FACTORS - ND-20171019 Drug:None (Control) | Treatment conc.:N/A Treatment time=2.5hours; Techncial Replicates=Triplicate #COLLECTION CO:COLLECTION_SUMMARY Aspiration of 4 mL media, transfer of sample (1 mL containing infected red blood CO:COLLECTION_SUMMARY cells) to 1.5 mL tubes CO:COLLECTION_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf CO:SAMPLE_TYPE Parasite CO:COLLECTION_METHOD Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes CO:COLLECTION_LOCATION Biological safety hood CO:COLLECTION_FREQUENCY once after 2.5 hours treatment CO:COLLECTION_DURATION Collection and extraction occurs in under 20 minutes per plate CO:VOLUMEORAMOUNT_COLLECTED 1 mL containing 1x10^8 infected cells CO:STORAGE_CONDITIONS On ice CO:COLLECTION_VIALS 1.5 mL eppendorf CO:STORAGE_VIALS 1.5 mL eppendorf #TREATMENT TR:TREATMENT_SUMMARY Infected Red Blood cells were exposed to Antimalarial Compounds, associated with TR:TREATMENT_SUMMARY sample names TR:TREATMENT_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf TR:TREATMENT Drug Treatment TR:TREATMENT_COMPOUND MMV1432165, MMV1451822, MMV1068987, MMV1490405, MMV1490397, MMV1449124, TR:TREATMENT_COMPOUND MMV1432711, MMV1454442, MMV1010248, MMV1319550, MMV1427995, MMV1431916, TR:TREATMENT_COMPOUND MMV011772 TR:TREATMENT_ROUTE Addition to media TR:TREATMENT_DOSE 10xIC50 TR:TREATMENT_DOSEVOLUME 10xIC50 TR:TREATMENT_DOSEDURATION 2.5 hours TR:TREATMENT_VEHICLE Stocks kept in either DMSO or Water TR:CELL_STORAGE Temperature/Gas Mixture controlled incubator TR:CELL_GROWTH_CONTAINER 6-well plate TR:CELL_GROWTH_CONFIG 5 mL per well, each with 1x10^8 cells TR:CELL_MEDIA RPMI 1640 w/ Albumax, Gentamycin, Hypoxanthine, HEPES, Sodium Bicarbonate TR:CELL_HARVESTING PBS Wash followed by 90% methanol extraction #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples washed in PBS, spun down, aspirated, extracted in 90% methanol with SP:SAMPLEPREP_SUMMARY labelled aspartate, then dried, resuspended in water labelled with SP:SAMPLEPREP_SUMMARY chlorpropamide SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolite_Extraction_for_LCMS_2017_Llinas.pdf SP:PROCESSING_METHOD Wash, Lysis, Drying, resuspension SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD 90% Methanol Lysis SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION 100 uL water with chlorpropamide #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Phenomenex Synergi Hydro RP (100 x 2mm, 2.5um) CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Average Peak Area MS_METABOLITE_DATA_START Samples ATQ-20170130 ATQ-20170207 ATQ-20170224 ATQ-20170309 ATQ-20170316 ATQ-20170327 ATQ-20170413 ATQ-20170426 ATQ-20170802 ATQ-20170928 ATQ-20171019 MMV011772-20170928 MMV1010248-20171019 MMV1068987-20171019 MMV1319550-20170207 MMV1319550-20170413 MMV1427995-20170130 MMV1427995-20170224 MMV1427995-20170413 MMV1431916-20170207 MMV1431916-20170426 MMV1432165-20170130 MMV1432165-20170224 MMV1432165-20170413 MMV1432711-20170802 MMV1449124-20171019 MMV1451822-20170207 MMV1451822-20170327 MMV1454442-20170130 MMV1454442-20170224 MMV1454442-20170413 MMV1490397-20170309 MMV1490397-20170426 MMV1490397-20171019 MMV1490405-20170309 MMV1490405-20170316 ND-20170130 ND-20170207 ND-20170224 ND-20170309 ND-20170316 ND-20170327 ND-20170413 ND-20170426 ND-20170802 ND-20170928 ND-20171019 Factors Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:Atovaquone | Treatment conc.:10 nM Drug:MMV011772 | Treatment conc.:6040 nM Drug:MMV1010248 | Treatment conc.:18795 nM Drug:MMV1068987 | Treatment conc.:7931.5 nM Drug:MMV1319550 | Treatment conc.:9680 nM Drug:MMV1319550 | Treatment conc.:9680 nM Drug:MMV1427995 | Treatment conc.:1389 nM Drug:MMV1427995 | Treatment conc.:1389 nM Drug:MMV1427995 | Treatment conc.:1389 nM Drug:MMV1431916 | Treatment conc.:6320 nM Drug:MMV1431916 | Treatment conc.:6320 nM Drug:MMV1432165 | Treatment conc.:1070 nM Drug:MMV1432165 | Treatment conc.:1070 nM Drug:MMV1432165 | Treatment conc.:1070 nM Drug:MMV1432711 | Treatment conc.:860 nM Drug:MMV1449124 | Treatment conc.:482.6 nM Drug:MMV1451822 | Treatment conc.:560 nM Drug:MMV1451822 | Treatment conc.:560 nM Drug:MMV1454442 | Treatment conc.:1730 nM Drug:MMV1454442 | Treatment conc.:1730 nM Drug:MMV1454442 | Treatment conc.:1730 nM Drug:MMV1490397 | Treatment conc.:1250 nM Drug:MMV1490397 | Treatment conc.:1250 nM Drug:MMV1490397 | Treatment conc.:1250 nM Drug:MMV1490405 | Treatment conc.:1130 nM Drug:MMV1490405 | Treatment conc.:1130 nM Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A Drug:None (Control) | Treatment conc.:N/A 2_3-Diphosphoglyceric acid 226380487.9000 1357339.9270 69189968.7500 1107999015.0000 1027064626.0000 1831282349.0000 838207126.3000 437193326.3000 1747577.5400 224887609.9000 2344775.7320 280116874.2000 68819022.0800 1001598293.0000 1667594.4820 174087438.9000 954000559.6000 248021594.2000 2352900.0230 83502182.0800 1259913349.0000 915023726.3000 2-dehydro-D-gluconate 10018063.7800 595710.2897 4323082.7340 121931.3347 1547362.8070 4656182.8340 1396470.4870 5118585.1670 3386116.7200 3468053.0540 6299554.5890 8778868.9560 219845.5500 1505881.4400 799915.3870 7244214.4260 3372575.0850 205447.9460 2328579.3870 464211.9563 4136198.0560 698792.0230 4486832.5720 206217.6412 1254438.4070 4806085.1670 2765822.0540 2-Hydroxy-2-methylbutanedioic acid 22047496.9900 60927289.1000 449533892.6000 19678647.5700 30146557.6700 104740316.9000 9807358.4140 11669875.8300 49994368.5700 33674260.3300 29777817.0000 34609580.3300 35408400.3300 31717403.6700 55843557.0500 9448518.0650 21492679.4700 322868724.0000 9887232.4480 78013034.5500 12726018.8400 37996916.6600 333600612.1000 7508377.9820 50351738.5700 30322310.3300 60647436.6200 81400718.5000 23676391.5600 351017276.5000 10089943.1900 20830340.9000 14740141.1200 31034837.0000 19487905.9000 27338284.3300 19906689.9200 53087349.4500 8680968.7200 18295280.9000 29502381.0000 98648608.7700 12824863.8900 14882688.3000 46473285.2300 32212830.3300 27857480.3300 2-oxo-4-methylthiobutanoate 86900.0517 568079.1151 255677.8167 245332.6250 391091.1718 33206.1819 46639.9803 90600.6200 98860.8993 138557.2627 90393.1260 70502.4769 28856.7777 322121.8248 35257.4681 126155.1507 36434.9504 438727.5957 25773.2584 93918.7167 103425.2227 68886.4416 316165.4927 400688.1642 31939.9717 267813.0500 47017.1518 120814.7293 270594.3000 283167.6250 66783.9888 15500.5437 237885.2833 200292.0917 534247.2279 37645.1433 57064.8015 79622.8333 89376.4193 3-phosphoglycerate 58960547.1400 402619275.7000 2994231589.0000 326512500.0000 472694821.2000 853551787.6000 76568998.4800 78626419.6000 440202598.0000 232716250.3000 168179251.7000 480631116.9000 114894718.4000 112349885.0000 358820158.1000 81516341.6000 70307243.6200 2157893426.0000 82781575.5800 455290281.0000 98188686.1300 99321153.0000 2002605412.0000 64811801.7900 442301331.4000 143254718.4000 584740520.6000 846015556.5000 57787743.7600 2209929644.0000 73928810.1600 446310933.3000 144429659.8000 147863118.4000 382492883.3000 509594187.9000 65924698.9400 633164517.7000 81255113.9500 528261133.3000 663444687.9000 1246761349.0000 111473860.8000 167157217.7000 551628764.7000 275206216.9000 223893485.0000 3-phospho-serine 29653460.6900 257824.2891 287438147.4000 52036056.1400 34910461.1100 135944942.7000 8498628.0240 6533023.8570 77046332.8200 134677880.1000 111085758.8000 97062516.7300 102943338.8000 86681905.4800 234733.2790 8353611.5350 32783750.7000 212115408.4000 10628438.2400 351178.1335 7016217.1120 34972033.8700 191049116.7000 6486251.9940 76943382.8200 105950252.1000 217570.9507 129537254.3000 15430819.2900 214901053.9000 10248250.4800 84382282.8100 8586650.1230 105352812.1000 82165704.4800 32007527.7800 35630656.5000 350689.3664 8661864.8550 83793356.1400 37953987.7800 180681932.8000 12960390.4900 10200148.4000 76524339.4900 139266813.4000 109730458.8000 4-aminobutyrate 24242478.2300 26146321.4300 64282132.3200 42470596.0500 15228118.0000 62011794.4100 1310557.6690 1315410.7950 92411144.4000 47067912.9700 80133047.2700 18849449.0000 79181100.6000 90936463.9300 25401962.4200 1463720.9210 28939095.3000 43974212.2400 1477168.4320 13998102.4500 789085.3557 35078590.5000 47033028.6300 1172018.0760 90957531.0700 77746830.6000 25260505.1600 55168508.7900 25199442.0200 48993961.8100 1524914.3920 35659666.0500 1530041.8670 70332553.9300 36229844.3800 12912314.6700 24232157.6800 20098049.2600 1721030.9160 33668252.7200 11872738.0000 52240132.8000 1554599.6610 1594537.8630 70125091.0700 38482226.3000 65485943.9300 4-phosphopantothenate 380305258.4000 166234049.7000 189658647.4000 168632416.4000 167955614.1000 153689047.4000 315036825.0000 162967514.1000 171740614.1000 573256158.4000 201083516.4000 225766514.1000 4-Pyridoxic acid 33723079.6900 13213887.3100 312640972.7000 37354486.0000 38775240.7000 77166604.9700 3474090.7780 2810483.0400 18781597.4000 624152.2233 427315.1900 13581687.7300 2516765.4300 29583869.5600 105782206.4000 3532741.1560 17262650.1500 10010037.9200 45824390.3200 161279022.8000 2038198.1050 16916447.4000 13450173.4500 68910860.8600 23318982.8300 107526910.2000 2718626.8990 36337829.3300 3864468.4990 38513341.0000 37672594.0300 32388679.2000 12832309.7100 6485575.1600 33448852.6700 32729447.3700 82336835.3300 10098721.0700 7696883.5090 16574744.0700 492343.4567 6-phospho-D-gluconate 32367935.3600 63090157.5500 458854917.1000 120472163.0000 75713102.7300 216975697.7000 29294781.7800 29401211.3800 105739533.6000 39753917.8900 52088648.5500 44688824.5600 49602861.8800 41254528.5500 75923027.3300 29701114.7600 34793209.7500 343171743.8000 31736993.8800 33688828.5900 25209509.1400 38008160.1900 316367617.5000 24863718.6000 109635533.6000 55411781.8800 66664281.1300 221696846.8000 18080109.6500 288684057.8000 32175266.8600 143894929.7000 39559489.1500 54424158.5500 133022879.7000 69875012.7300 34540783.9200 36801416.4400 9506881.4710 140022363.0000 99752232.7300 251231662.0000 35102794.4400 39119969.3600 103885067.0000 42601054.5600 46690438.5500 acetyl-CoA 4291603.8820 5269016.0900 5646363.6470 5202154.4400 13501779.9700 6648643.1070 10625633.3000 10445404.6300 9886552.8890 4974012.8720 8889690.4920 6705570.1450 5074855.6470 11105389.9700 5737911.4880 2626882.6480 14132536.6300 5199566.8120 13672797.3300 8671264.6470 7862465.7730 15879983.3000 Acetyllysine 2009366.6740 2036954.0410 4583974.8990 6973169.5430 2935260.3330 8760210.3360 786451.6334 393600.2445 5853735.3920 7498537.1050 5635286.5380 5086741.7720 5063851.2050 565429.7713 1873063.8670 621084.2653 1654031.8720 3102917.4600 636195.5553 682089.3778 69379.5886 3606892.7320 2117457.8020 419430.8686 5951146.0580 4186453.5380 1950575.1490 6482291.1140 4915777.8420 3608087.2600 720287.5128 6847371.8770 506492.9564 4630168.2050 6922016.0430 2020168.3330 2855142.3340 1741588.5250 121133.4093 4975002.2100 1862522.6670 7229480.5830 566626.0319 404343.8035 5429278.7250 6192664.1050 5291558.5380 aconitate 2059134.5730 3568946.2170 13627728.3000 14345109.6700 14209560.1100 1134131.0760 919431.1526 3091545.8330 1995030.2670 1703796.5000 3779250.9330 1586453.1670 3041506.8330 1030145.3920 10000.0000 3008784.1170 1141949.8460 2141784.0250 6211635.3810 2190352.8800 692681.0123 15664125.8300 1440908.5000 13042020.0100 10000.0000 3287250.2040 1404580.3370 28275604.9700 2193290.1340 2144635.1670 26109069.9700 15314093.0000 2107680.4130 125480.7082 24249021.6300 20638456.3300 33182368.5100 3634878.3170 3080431.3330 6782151.1670 3899981.9330 3756770.5000 adenosine 559423.5333 631422.0618 88100.5033 816772.9522 719548.2796 133562.7706 709634.0690 765709.8215 101407.1434 485180.7333 663464.8667 552490.2613 99218.2235 ADP 4032100.6910 525164226.3000 64380682.3200 614105269.8000 917735583.7000 670337901.4000 39363650.1200 53314667.4500 344672927.4000 209903847.0000 107322313.6000 511680560.6000 44665452.2600 3107442.9130 37949183.9500 40811311.7900 643238426.3000 59552678.2800 10000.0000 36550140.4200 34068093.2500 316972927.4000 580063874.1000 696942764.0000 412184.2377 26802703.0800 37202738.1800 622055036.4000 77348216.1100 631202353.1000 890024950.3000 3772649.4500 559789313.4000 1407067.3990 551767103.1000 531812183.7000 853098007.3000 55403765.9400 79272138.5600 385773627.4000 187105980.3000 ADP-D-glucose 3078552.9730 5146928.2940 34261024.2500 10953351.9400 5345769.6670 12203919.1200 817761.4027 605747.1911 4548591.6670 2358546.0000 3672103.6670 2348478.6670 3309193.6670 2420597.3330 5063591.9550 777651.4077 2934258.7220 20654117.7900 863651.7729 6906985.4680 916316.0269 2033045.0220 23809295.0100 625119.6403 4444603.6670 3469268.0000 5135169.4470 11018223.0200 792117.7296 28364172.3200 931874.8491 9850916.9370 865731.1498 3479574.6670 11405892.6000 5068649.0000 3208053.9000 4557408.4060 653036.1569 9492161.9370 5224975.6670 12135399.5300 930346.4482 861311.7570 4388821.3330 2145731.3330 3301418.3330 alpha-ketoglutarate 193222799.8000 224576863.1000 5335165610.0000 150870094.3000 602243294.3000 523626483.0000 94552946.3500 75849341.8700 152095468.7000 191562705.8000 204229752.7000 173489739.2000 156079052.7000 287277152.7000 266966506.2000 90614850.8600 196426621.3000 3648398843.0000 89262883.9800 230781177.0000 118842390.3000 143758705.9000 3643361545.0000 74419142.7300 150471235.4000 161792319.4000 209674554.3000 458826407.8000 106960951.6000 4164137925.0000 87363078.0000 167159227.6000 98643080.6700 170572886.0000 164771494.3000 481002727.7000 196255246.7000 177839311.0000 106397749.6000 157834727.6000 305075727.7000 499617434.1000 98820040.4700 104644588.8000 170233602.1000 168946439.2000 184347386.0000 ATP 303308290.9000 3630667686.0000 278296390.8000 124059924.7000 2323253073.0000 166449624.7000 2133827073.0000 285032906.5000 4009043281.0000 255813236.7000 3491361763.0000 210420614.8000 2062123073.0000 3868353772.0000 165768067.0000 2270739740.0000 601779869.5000 296753622.8000 4415385588.0000 415432202.8000 130196258.0000 1637756073.0000 carnitine 239908.7800 133420.2467 336085.8800 CDP 39170044.9500 2582130.8440 25695271.9900 58298509.8700 21168160.1200 1549661.1400 1808083.4470 8970420.0930 8914052.0830 11300245.8900 7438621.7500 13714590.8900 8202672.5530 34804983.8100 1532402.8800 1689559.0390 1615317.7170 74055465.7900 5235703.1800 1200986.4140 989638.6697 9056167.0930 10879880.8900 40848189.6500 20847441.7700 705668.8708 961738.8479 30089925.3200 2395253.6660 8787434.8870 30389083.6600 35227446.5300 45943818.7800 87527.5633 26310341.9900 30831323.2000 43479902.4800 3058230.4280 4062186.4160 19720079.7600 11164962.4200 18194097.5500 CDP-ethanolamine 201312685.0000 27109470.0700 3945725.7970 91875725.9300 39060056.6700 57837717.1500 3462466.4330 1840313.2510 125381500.0000 141709733.3000 116072946.7000 314543500.0000 131931816.7000 82343530.0000 29244990.6700 3129284.1920 188777779.9000 2530683.6460 3733327.3320 39024699.1300 2574372.6740 159215603.0000 2326875.6160 2278436.4270 130373300.0000 129129790.0000 27695428.5000 45123621.4400 4482336.4160 3449188.9660 3395669.3120 63388472.2600 2400900.5360 86536753.3300 156074116.7000 30506173.3300 220640625.1000 37397696.3200 159862.1764 85502218.4700 64671110.0000 75303866.5800 5206335.6890 3202311.8790 136645806.7000 210510800.0000 126810503.3000 citrate/isocitrate 10000.0000 23325017.0300 131435050.0000 103252580.0000 24438629.0000 48627564.7000 43418745.6700 34908514.7000 53198704.7000 10000.0000 43129.4659 1899961040.0000 37930474.7000 10000.0000 70990247.0300 39772244.7000 62545675.3700 116809910.0000 10000.0000 54559153.7000 217465116.7000 207994900.0000 43288449.0000 105360618.0000 CMP 10000.0000 27452678.0600 6779106.5600 4197746.0000 40681230.0900 924087.8640 898885.2732 828366.8673 260524.7333 19730986.6700 12270577.8400 17907373.3300 8428232.3350 25352971.1400 37138290.6900 578166.8924 10000.0000 4299703.7210 1010515.5620 77168959.3600 2652088.2170 6094063.4640 3981225.7060 472514.8553 262098.0333 9881044.7690 24766959.8300 1060793.1470 10000.0000 4069931.4690 663447.3516 6309691.3330 987674.1304 8386430.8350 4008503.5000 21607940.0900 10000.0000 37053987.0600 128980.8211 8099398.3330 35233413.4300 1717754.1480 1190756.8710 1575694.9040 447733.0667 17463633.3300 14171374.8400 CTP 290872732.6000 63841377.6700 1665163.5520 80365523.8200 123205164.5000 152175473.8000 125904864.5000 101183537.9000 360703188.2000 498724099.4000 1653494.2190 113486331.2000 293145589.5000 97581447.8800 50484411.0000 483705378.2000 121611707.7000 2837776.8860 124323650.5000 156250097.9000 cyclic-AMP 2874737.6260 1703822.5260 747816.2009 667426.0833 537489.0833 987010.4523 274408.0500 862861.5857 521575.6857 1775407.0090 2988537.2990 2020973.3590 676724.5481 2659492.0180 609984.7167 892306.6190 1740584.7360 1846595.6300 1041651.5440 867053.5523 2790208.5840 2023991.2490 1111289.3370 693490.1500 568452.5833 1185684.1190 cytidine 156339589.3000 568190879.4000 2905069561.0000 846106812.4000 3101532.3230 2345499.1360 13750697.4700 411766.7374 17697231.1700 771365505.9000 880403759.4000 657381239.3000 970460726.1000 745515326.1000 555589748.4000 14453365.0300 162411441.5000 2072197412.0000 15468370.0400 710129834.5000 671356.9036 556177017.7000 2074819310.0000 11367184.6600 17160997.8400 885941359.4000 546985923.4000 2222591.8890 218338311.2000 2570896621.0000 16638167.6900 616765979.0000 651958.0586 945864859.4000 837004495.7000 3607013.9900 177068634.2000 681769520.2000 148620362.2000 839447412.4000 4502381.6570 3085557.9550 20094008.3600 762047.5635 16661414.5100 837452972.6000 884619926.1000 dAMP 1043940.3360 318060.0553 1921580.1320 3645920.8930 2119645.8530 36029.6609 128250.6824 10000.0000 177239.5000 246492.1167 158248.1333 164338.6533 2286970.0000 937587.6483 49426.5073 160336.4956 35322.7742 1507853.0490 222037.1513 99570.1573 39721.3433 10000.0000 233289.8000 1174072.1650 2136012.9700 68900.1663 50265.9901 2225798.4650 142755.4616 138449.8000 1816027.4650 2784378.2260 1067129.1840 10000.0000 1930343.1320 2040385.5590 2826425.3670 76905.6449 142365.4719 36935.0251 295659.8333 688683.4667 dATP 2588803.3210 72221997.8300 5877324.3330 21658044.3100 3841013.0000 19093538.6400 10808782.8700 79603281.1200 1656792.4200 51433837.6100 1529125.4790 30599711.3100 72589463.5500 1481556.2210 33962027.9800 2255317.0660 78047584.2700 5097563.6670 7776424.6430 dCDP 9404308.5470 7153168.0730 4754222.1660 14181061.5900 5247110.9160 390485.3838 593832.3739 2715323.1340 2107308.3330 3242237.3330 1413217.3330 3430472.3330 5508800.6670 7060785.8560 446375.9412 4107416.2610 398085.3727 14399665.5600 1856044.2830 4027100.7080 358524.0565 2913731.1340 3225921.3330 10555155.6900 6777459.9680 3035921.2040 334041.2870 5310261.8330 812255.1596 3169948.3330 5346422.1660 14269378.2500 5139042.0140 170826.7200 4340454.1660 6426205.9200 8515173.8460 657577.3203 874251.7194 4259076.4670 1758704.6670 3954088.6670 dCMP 3112249.9360 7009230.2880 6355286.6670 837597325.3000 253816.8634 71794.9350 2329967.3330 2706870.0540 1821590.0000 2592691.7210 8111525.3870 3723233.4780 4759337.8320 9731305.5950 1216960.2720 4972087.4260 71258.8683 2370453.3870 3488708.1270 709718241.5000 4212375.2530 372276.7501 2705858.0540 7009190.0000 3216914.4210 146922.7463 4293156.0000 691042983.4000 427435.8741 113477.0617 1682469.1000 2833213.0540 dCTP 71489245.0100 21303475.4800 315808.2775 558187.5107 12517450.3700 33571285.3700 18359026.0300 28080738.7000 41449462.0300 74435247.1400 99083629.0500 316142.9495 585755.2107 32088648.7000 77980466.2300 376600.7877 32125062.0300 27724265.4800 65379843.9300 29653978.8200 340250.3144 623965.0440 14410079.7000 31043098.7000 deoxyinosine 893906.9557 507491.8897 675070.3933 428962.1230 762016.6933 1663645.0270 954013.4890 581957.7933 874029.2600 940422.6890 630128.1897 935507.1933 deoxyribose-phosphate 200501.3316 10342965.8200 912396.2290 873688.4000 5898545.3010 336311.4955 60310.1989 4454459.9430 5398570.2260 323658.5463 15146429.8900 278116.1797 1224574.7130 137916.1985 278097.6556 10339212.9300 358400.2042 211324.1356 86210.5752 8368495.2000 232146.8692 4441126.2760 367084.6797 165808.2330 4369421.5870 10287734.5800 320577.3371 1065787.0290 99687.7921 239372.0463 975102.0957 832971.7667 248700.0120 302515.1913 909775.0623 920829.3333 5585743.9060 456893.2927 98413.5878 5539276.6100 6499659.2260 408810.5130 D-gluconate 133843323.2000 760337330.7000 1625647672.0000 82823216.5000 153099427.1000 248694923.5000 22006879.5800 23688736.5800 154363445.6000 218219158.6000 227669129.8000 195694625.3000 226508206.5000 215297556.5000 796316976.5000 23825905.1900 126405154.8000 1169593194.0000 24493318.9000 942695236.9000 35215318.7000 206530917.5000 1192677960.0000 18799416.5900 208718979.0000 159029339.8000 791767071.0000 243952610.6000 92031637.1700 1255619627.0000 27356681.4300 101794149.8000 34858876.8300 233530019.8000 100760136.5000 161221460.4000 136774884.9000 859459848.8000 36916420.4500 101163499.8000 196686560.4000 309512658.5000 35640998.2500 38588598.5400 242723012.3000 138112058.6000 269310039.8000 dGMP/AMP 75120563.1500 714799596.4000 123246197.4000 309087842.6000 94629177.2200 53587130.4700 60545343.7000 58194575.8400 15242653.7000 46262799.1800 16810432.5100 71551799.0600 414283781.5000 119440520.7000 438714949.5000 54452850.4700 50430379.1800 86436740.8400 76285131.6600 434312803.8000 141121564.0000 43140215.8400 130567930.7000 225800109.3000 90930415.2300 10099501.1600 130307797.4000 146093775.9000 201039126.1000 72809687.1300 31588483.7000 75658119.1800 dihydroorotate 220874373.4000 444293507.9000 1264130569.0000 128349190.1000 107242284.5000 1391055352.0000 75722206.4300 409401924.3000 201041358.4000 469345127.4000 255910134.7000 8520981.3830 414282134.7000 3421559.0630 342964635.4000 156635235.4000 987371641.7000 1242416587.0000 126925005.4000 8704856.7200 11322909.0000 10000.0000 2288138868.0000 186433386.5000 204451658.4000 338072268.1000 522369520.1000 2315583484.0000 592354103.1000 3069452688.0000 280496907.4000 41436803.4400 627299614.9000 478803968.1000 66940223.4400 507562051.1000 238343904.3000 18127882.4000 3201625.6110 24726853.4400 10094844.1300 273807433.4000 13148417.1500 27588333.9000 9159130.3770 22756627.3800 18814478.0600 DLH 14556811.8400 6532782.4340 24967111.0300 8314581.0000 3642754.0000 32514787.3600 1232670.9320 883821.5311 40304383.3300 23238720.0000 45901653.3300 13588020.0000 41967420.0000 1432474.3330 5357375.2030 1028452.8730 9388181.2360 15887399.8100 1232894.5530 1892902.5120 176999.6259 14568870.3900 12287846.0500 640187.7685 39296553.3300 26436283.3300 6368892.0140 24634368.5100 16219486.7500 16739605.3100 1461606.7700 7003851.3330 1396228.5790 38221666.6700 8785925.5000 2697015.6670 13743958.2500 4806266.4440 495711.8723 5041317.3330 1914491.0000 28726347.9600 1216529.1490 1403734.7740 39608210.0000 20178783.3300 37166516.6700 D-sedoheptulose-1/7-phosphate 6107778.8190 18439751.0000 629880982.9000 76438193.3300 13725976.6700 29095294.1200 2330932.5760 1456924.3220 78833139.4300 14943861.5200 57781368.6000 17108841.5200 64705905.2700 69377188.6000 24795875.7100 2129279.4770 5769017.8790 448855964.7000 2789535.8980 33024443.3800 2378717.7570 20855070.1800 456054350.0000 2025216.2760 80282146.1000 69601324.9300 20001659.5100 31404619.0100 5579269.0300 543057046.8000 2756604.1150 91895046.6700 2291929.6560 71972465.2700 87676325.0000 13833883.3300 6276888.9970 27117056.9900 17487736.2200 83450516.6700 21154006.6700 46447177.9600 3725221.6720 2740633.5460 93035639.4300 18969858.1900 48480148.6000 dTDP 4709102.8520 11521166.9200 32274339.8400 15357581.3400 27624857.7900 11275211.6400 1693790.7060 1539097.1440 4602261.4910 4576770.8380 5255497.8830 3996212.5050 6485660.8830 36585380.5500 7513172.9080 1447209.4010 3530313.6250 16873078.6700 1663171.5250 20644413.8600 5390733.9080 4954227.6210 12172082.0400 814943.6498 3388570.4910 4562903.5500 9162225.7630 8959560.2710 812375.9739 9958882.4060 827948.8710 16585211.3400 1965092.4100 3330724.2170 16205559.6700 13344994.4500 5043985.2950 15256439.0100 757985.7150 15489394.6700 14461207.7900 23935567.6800 2816507.2520 4265612.1690 12199202.1600 5784109.1710 9139470.8830 dTMP 1649823.3030 1431590.0440 1107613.8380 1145503.9230 8084122.5180 1295551.0630 108468.4055 304883.9190 590767.0193 1927801.6670 1150491.7910 758693.6333 1843453.4570 33808769.7900 1023988.0400 96991.0889 845644.1004 576903.0082 87894.2943 5668474.3830 4434960.8110 1780003.4870 611195.4005 60169.9515 596030.7860 950283.9240 1551976.0790 1328212.2410 44045.7885 477532.8375 60241.2722 1204772.3230 330197.5800 740343.0573 1313899.4900 3230574.5180 1779035.8540 1486770.8960 21538.3661 1034713.0900 1527055.1850 3483746.8890 163939.6909 515136.4788 1410407.5860 978851.9000 1790251.1240 dTTP 10563753.2300 75750171.8800 19499624.6100 21942152.8000 22739131.5900 44732388.8500 56952161.9300 43522448.8500 330868132.2000 102245303.3000 8226178.1920 143881964.0000 9784301.0970 22970596.1300 39177025.5200 74816240.4300 4746225.9310 30004118.8500 13002901.2800 10297357.2100 125584833.4000 24522277.9500 68268702.8000 40949369.9300 63133978.8500 dUMP 10000.0000 10000.0000 211602.7397 13448.6127 37237.1647 126871.1947 20220.8171 252359.1365 167734.9463 215493.0063 10860.5693 10542.4023 20063.8112 10179.9260 20444.0620 33504.6152 232539.1397 29413.0353 dUTP 69508.4824 64885.6043 2609734.6830 341970.0333 2051932.5270 170387.4037 195597.6466 41635.2600 11419.9533 104999.2000 68070.9429 185720.6408 46945.6152 200018.2641 48518.7943 145453.2279 55590.1978 141944.1566 32795.2000 69997.9262 1841905.0890 64818.1803 187107.8810 2167708.0160 277203.8695 48779.2267 3075505.0160 377000.3000 87862.1620 10000.0000 2952729.0160 585960.1667 2277335.9320 240091.0612 357962.6457 31074.0200 FAD 4645932.2640 9231177.7600 18627342.7800 16039588.1100 8209433.0000 13023705.6600 835958.2013 1051549.8010 6028278.9850 2467597.6670 4089539.6670 1889819.3330 3943476.3330 1621818.0000 10117994.4500 810213.2513 4194859.6510 12554745.5300 855294.5281 11286472.7700 1224102.2510 2762462.1960 13440894.5300 681896.2363 5977621.3190 3792931.3330 9095020.9960 10083393.6400 562820.4178 15613882.3100 988030.0434 14443703.8700 1449625.4670 3867229.6670 15745598.5000 7888388.0000 4930070.7460 10267470.0800 341817.0085 14474664.2500 8596501.0000 11025806.5000 862804.0887 1476895.1650 5844794.9850 2313629.3330 3835355.0000 FMN 11431.1050 585219.3415 711500.6147 512205.2393 10283.0505 34969.9471 518160.1667 127221.0800 322929.6333 82806.9667 273585.1000 269679.7333 653516.9539 12081.1106 10000.0000 13591.2254 575930.5958 33100.7704 11039.5551 10358.1325 477965.9000 318286.8333 543574.4716 10000.0000 12120.9779 446214.9813 42557.4938 291992.0000 580671.7980 435896.5060 10950.5726 598546.4912 417101.6147 229868.3393 13601.8698 44635.5115 528498.1667 122310.4733 319422.6000 fructose-1-6-bisphosphate 84939783.0200 328089409.1000 497570892.9000 276927476.6000 122084681.2000 377455948.0000 8718351.3870 16227366.2700 239082456.0000 104534332.8000 122203689.1000 148117266.1000 88976345.7300 60088855.7300 527838944.0000 9096465.8010 89417175.0200 420952161.8000 9809709.0100 354780657.1000 8357568.9830 76183168.2800 336730442.5000 6456862.2000 228544522.6000 113084689.1000 361214631.7000 338396535.4000 43054001.2900 330894683.7000 8344298.5910 290300743.3000 24425172.2400 102812522.4000 270202210.0000 121774314.5000 90432988.7600 709904785.9000 12537395.3000 331925176.6000 186667647.9000 453405470.8000 11395856.1800 31076621.7700 249203222.6000 115223366.1000 126380989.1000 fructose-6-phosphate/glucose-1-phosphate 14983043.6900 138404235.1000 277543477.4000 114280558.5000 245744644.1000 165060610.7000 13986043.6900 288937577.4000 297224910.7000 13284417.0200 154330175.1000 181768410.7000 fumarate 188995963.6000 279691673.3000 498989588.2000 63762522.0000 428141687.4000 588706690.3000 30418990.8800 21743656.9700 33003818.3300 44079360.6000 44212992.6700 40321710.6000 32508569.3300 53234602.6700 310589530.7000 26448160.0700 102463689.3000 357125868.6000 31411808.7100 157783200.3000 14241624.4600 215676282.3000 304883955.9000 15837871.7400 29494818.3300 35470126.0000 281088379.0000 426260499.1000 114370288.0000 277625648.6000 20559479.2300 51352472.0000 25198095.1000 27783676.0000 49580807.0000 224669227.4000 196394059.9000 282487266.6000 8914143.4660 47430062.0000 314994884.0000 726129549.3000 35685433.7100 42086190.5300 40904528.3300 50285757.2700 45804462.6700 G3P/DHAP 35130082.3700 481808642.5000 22791529.1000 13526292.2600 107629890.2000 6093803.4900 1366664.9430 126494750.2000 50682512.7000 162447216.9000 26582535.8300 52993586.7100 6133282.3730 55125561.1900 405728745.0000 6877954.9320 71851557.3900 348895755.7000 5003827.1100 1176570.6100 41710576.9300 91459902.4600 57338285.8900 548257091.3000 7849958.5620 23968089.1000 40420761.7700 24434587.4400 10761112.2600 38400777.1900 12312013.9800 28197409.1000 19761198.9300 129767172.6000 8546346.2820 1147629.2770 110607216.9000 63508570.9400 GDP 87458174.7700 2745700.7160 78318633.8900 41699897.7500 2943470.2870 28133711.6800 18178144.0700 24733598.8700 7056125.0670 28646968.8700 5718963.5400 83992909.3400 1766443.3440 84061607.8400 2618672.6110 1723915.3390 27201291.6800 24831595.5400 99010339.3300 55931246.5200 950049.6019 4183125.4640 25121215.5400 79044020.5600 86609778.5800 74861.3311 40443933.8900 61040051.1500 3893278.6960 30581941.6800 15832710.7300 27700382.2100 glucose-6-phosphate 10000.0000 294675533.2000 129043126.7000 95393986.6700 289522154.6000 12737836.2800 11582105.8500 331306146.0000 285613370.4000 11513222.0700 10000.0000 13109927.1700 180529742.2000 6190699.6590 393653.1427 9890576.3210 321147779.3000 291987399.7000 272782779.4000 47185.4106 14430188.2000 142612780.0000 17160235.1300 116539695.0000 80217261.1700 10000.0000 330492138.1000 139042236.7000 169376966.7000 341364917.4000 15523043.9400 17670610.2900 319733779.3000 glutathione disulfide 656398998.2000 612869050.0000 1879877233.0000 1503556540.0000 903537575.9000 1499778244.0000 81353766.8400 75104757.6600 686894434.9000 302977026.4000 413616905.3000 228860893.1000 317871605.3000 363479238.7000 716200674.0000 89475318.7000 627300825.4000 1531387806.0000 104533897.5000 621815791.5000 90551606.0800 678961144.7000 1231111456.0000 60259175.3800 700947034.9000 405186072.0000 619393784.2000 1414898271.0000 214890265.2000 1630570558.0000 105754290.5000 1780904873.0000 109360616.9000 390933405.3000 1576782373.0000 873414342.6000 727903831.8000 828098807.5000 44919529.6500 1784008206.0000 916699442.6000 2081568639.0000 115297885.0000 117227481.5000 768768134.9000 313986993.1000 461187138.7000 glycerate 7970775.2820 13989989.2400 91228120.7500 10659177.6700 22254493.9000 706484.1182 66009.8533 6466922.4000 4410736.1430 160021151.1000 4207816.1430 2512272.8100 648790.6485 2637456.0480 82990094.2800 54346928.1300 883723.5170 6419336.7410 71974211.3500 80472.0000 4036356.4770 11736749.0400 22877207.8500 4626972.2750 79280327.2100 1611308.3030 7345509.1430 10690577.6700 5951717.4150 30805428.2000 1443701.3800 11784507.6700 31245647.7900 1552459.4940 116377.0767 7555459.0670 6015375.8100 GMP 17364444.1600 56838763.2600 358424459.9000 63556329.9500 105136658.4000 122261379.2000 12436428.4900 12904707.0600 63053703.1600 47930916.5500 67651836.5400 11647446.5500 47919059.8800 3438566.8770 68411422.9600 10808774.8000 30155430.4700 204051932.4000 12538409.6100 70437940.6900 10266408.8000 26775893.6000 236111844.8000 11009988.8300 64258513.1600 51516036.5400 55440041.2900 105276906.3000 29017342.7900 242376274.1000 16997006.8900 85472003.2800 17020282.4900 66786506.5400 65727826.6100 125938778.4000 17742288.6100 51545554.7700 4637740.8520 100079713.3000 67897488.4300 114080637.8000 13291687.3500 13355986.0200 56156819.8300 27549086.5500 53811863.2100 GTP 70718.8906 551723723.7000 20536010.6100 570625.1718 24337669.8500 24410509.7300 27398189.8500 43305443.0700 16353315.3800 618533356.8000 23283.2606 434508211.0000 12323.6174 933622.0910 24947883.0700 598815651.2000 21921.0857 27952836.4000 42378537.5800 55100.5364 636612628.6000 31886163.9400 647662.8384 14867727.6800 35096386.4000 guanine 8777211.3560 32992681.8000 25348503.2800 11434090.8600 17547190.0000 12717938.1300 680767.4374 430052.5917 15871084.5900 4061825.7860 11772906.7600 4324687.4530 15798733.4200 3069486.4250 23767068.7900 925144.3802 10124703.9800 21286285.4600 839827.0222 23911579.9500 496077.9009 13099332.4200 25326778.2800 752028.0694 18034461.2500 17695163.4200 35979667.1500 16490808.6800 9506451.6590 29451092.2300 1065874.1290 11610277.8600 635538.1567 13958690.0900 12122942.8600 18601533.3300 8429326.2340 28585808.6900 885393.8913 8938169.1910 11602896.6700 14865865.8800 1084485.8040 642212.8180 11194567.9200 4685686.4530 13969743.4200 guanosine 6273407.9030 2456093.4390 1323281.2590 9171921.6670 2399739.6670 2423565.9650 196498.4275 294059.4303 13288934.3900 8480093.6670 16740402.1400 3028247.3330 19590932.1400 3720800.4760 1612079.7120 268908.7883 8157166.1550 1236525.3070 237089.5325 1312255.1210 175594.8823 4122849.3720 1353830.7390 216752.8316 14338731.0500 23323238.8100 2907128.8510 4169070.1890 2467840.8680 1225452.0050 294151.4280 9097924.6670 395996.2449 18836888.8100 9838952.0000 2634551.0000 6078656.5400 1678864.8340 38068.0659 7438237.6670 1880502.0000 3212009.7310 303120.3904 311952.6419 10248393.7200 9620723.3330 19048935.4800 hypoxanthine 22591506.7200 82776218.0400 314975549.9000 173765500.0000 165326895.4000 191947033.1000 9203160.3410 8620875.1940 199805408.7000 84451955.8800 128838449.9000 89893342.5500 148050196.5000 129324029.9000 87374770.4600 8289642.2730 28153854.0400 269052525.1000 9226922.3460 108796899.8000 11502484.6800 63555065.6900 238601406.7000 6751723.6990 221403242.1000 142530096.5000 82476949.4600 171960340.4000 33016373.6700 337899984.3000 9477599.6100 191094933.3000 11196275.3200 138238663.2000 171344900.0000 161282362.1000 22535767.2900 89597423.4400 8112619.3210 175851266.7000 165929162.1000 176058875.5000 10459098.2900 11711573.6400 191075408.7000 92826855.8800 135081729.9000 IMP 65951487.5600 132168902.2000 1397317981.0000 189328488.2000 145385056.7000 324772017.1000 15655683.0500 15181251.8500 195804783.0000 53021498.8600 84304668.9200 38286015.5300 66539905.5900 92505725.5900 137055106.7000 17914499.9500 89872073.3200 980714389.1000 19110491.9200 113189146.4000 10875824.1300 91183663.5100 1136779008.0000 17606385.8500 202931449.6000 100539615.6000 152106407.1000 345371338.5000 60676797.0300 1036360793.0000 18875112.8800 178387654.9000 16886824.7900 65011072.2600 180685938.2000 141272790.1000 66348762.0100 115109689.1000 24617928.6000 170715754.9000 135198590.1000 316986938.3000 18570571.3300 16963475.2000 158349983.0000 45273975.5300 69554178.9200 indole 970352.9897 230448.2524 47776.4371 26960.1290 207848.2333 42446.6500 114268.4167 47644.2333 148386.1000 129911.0000 47900.6116 933313.6746 54402.7370 51391.1109 912900.9110 33372.1875 202647.2333 94458.2933 225328.0584 963342.6457 55638.9477 60464.4183 124213.2667 32986.8092 280270.1902 77762.1815 49911.6951 213410.0333 28365.5533 110876.3000 inosine 6405588.3720 8742111.2420 10399568.4600 9880470.0000 5777626.6670 55629770.5600 1013776.0000 983066.1316 53474443.5000 23620573.3300 42112243.4300 34340836.6700 41834023.4300 40168006.7700 8501935.1140 1193421.8210 7519784.6730 9372438.6900 1226940.8590 9199916.4120 860557.5483 13293539.3400 8003644.9090 874870.1154 57338166.8300 40406866.7700 8763182.0640 42000916.7300 7379266.4450 10791262.1700 1159330.8580 12513416.6700 1338530.0740 40414600.1000 10630126.0000 5845086.0000 6429303.3710 9107401.8440 307124.7691 12011956.6700 6519115.3330 50009661.5100 1195787.8270 1244181.4040 56349720.1700 29152566.6700 39280811.1000 lactate 751417448.9000 7465920858.0000 11153862304.0000 3632985357.0000 11845207245.0000 5483341280.0000 722472836.1000 673274006.8000 3117754667.0000 5390765000.0000 4749378000.0000 11907580000.0000 5464727333.0000 2900418000.0000 7017321454.0000 733856472.0000 938597560.7000 11945715078.0000 762897435.9000 8025172599.0000 802800748.2000 988275579.8000 10746432298.0000 615664291.6000 3287677333.0000 5384518667.0000 8541812878.0000 5862768095.0000 496305417.2000 12418076693.0000 823580347.8000 5497280691.0000 1038599312.0000 5224350333.0000 4393235191.0000 11924127245.0000 803173904.4000 9410569306.0000 541406686.0000 5861570691.0000 11811830578.0000 8466273214.0000 998174069.8000 1148468847.0000 3979279667.0000 6703211667.0000 6593323333.0000 LD 3756612.2280 51809068.8000 6112294.9240 4718586.5350 6618238.2980 1854804.7260 515183.6897 11095309.3500 7993405.5730 6414134.1940 3027632.2400 7059789.5280 3550044.1940 3525457.2540 1744250.0980 37505229.9600 1905914.9330 1320738.7680 501604.2571 39377934.8400 1629132.1250 10761839.3500 6656568.5280 3683694.9720 4908231.8190 44526402.3800 2121559.3260 4274597.2580 735975.6496 7785835.8610 5127640.9240 4720676.2020 2695070.7710 1028546.1370 3533201.2580 2710721.8680 7076428.6950 1635044.6670 691742.0986 9054233.0130 5690264.2400 4071137.8610 malate 946083081.9000 1589928062.0000 4252100322.0000 922916834.7000 2369773110.0000 2857430924.0000 211873017.2000 147069935.4000 865731010.0000 679484740.1000 1026895814.0000 671770706.8000 747067147.0000 1226649347.0000 1796109035.0000 174919705.4000 579455532.9000 2888251091.0000 209782837.4000 1081665488.0000 81560685.3400 1023892708.0000 2301194546.0000 87601877.0100 852863043.3000 762995980.3000 1568958247.0000 2033727030.0000 441993673.0000 1537564317.0000 107326644.9000 659986334.7000 140876806.3000 570628147.0000 637717234.7000 1260926777.0000 937575976.4000 1803153193.0000 71628532.1200 574065868.0000 1789533777.0000 3520344337.0000 250988898.2000 298897102.0000 1145432243.0000 777570873.5000 1020617680.0000 myo-inositol 14229548.7600 891288348.1000 722502812.1000 38787848.6000 1356790754.0000 27392335.4100 118108465.8000 111055912.7000 64273771.6700 386844180.7000 250650912.2000 909386880.7000 277563945.5000 135564345.5000 817058125.6000 112843980.4000 21697889.8900 1076283930.0000 131150243.5000 924415379.6000 135511772.3000 14369016.6400 871520315.1000 104343941.3000 67783481.6700 295461178.8000 1032143421.0000 27499125.0700 5261851.4260 1069679551.0000 135655267.9000 76961361.9300 167171181.2000 280737378.8000 48737363.6000 1342802088.0000 13908805.7800 1150091868.0000 61249471.5400 92119385.2700 1297240088.0000 36221363.5000 175524973.5000 186954708.7000 72718801.6700 514358980.7000 362671978.8000 N-acetyl-glucosamine-1/6-phosphate 10000.0000 6181941.6020 20927489.0300 2862307.3330 1308749.3330 6285309.3240 3285257.9630 8235728.6620 15772227.6100 4674996.0000 14349414.9400 5670794.3330 2770657.3330 5864040.6690 31271.0805 15558332.9600 3967294.6310 2038268.1240 14898.3907 17483294.5500 8072585.6620 3773231.6670 6258980.9990 6243574.8000 31112.9190 19783040.8200 2898124.0000 3488685.2130 4768008.3330 2951086.5000 1761609.0000 10000.0000 5365869.2270 371320.6639 2816533.3330 1262455.3330 6050057.0900 4039479.6940 6057206.9950 15348547.6100 4158853.0000 N-acetyl-glutamate 21808591.8300 17924286.3900 156415156.8000 15315734.7200 27990650.7700 77168572.8700 9155299.2810 13009111.5000 43715023.7900 18028840.2800 22175336.5500 11721810.2800 29614483.2200 19088286.5500 19168676.8800 10296397.7400 27546588.7000 112518710.7000 10662827.3700 11754874.9800 9475937.5030 40307827.7700 128878615.7000 8733423.2360 44324750.4600 23767083.2200 15049984.7600 71064674.9600 17073224.2900 137181684.0000 11187984.7100 15816844.7200 17685461.6000 21268146.5500 15001081.3800 26139317.4300 23538281.6000 16728135.4300 4098921.4730 15946621.3800 28817190.7700 77860908.7500 11948282.6900 17015065.5000 38470183.7900 17828116.9400 21374553.2200 N-acetyl-glutamine 1230393.4980 4335849.3680 4302606.3310 756085.1907 339115.9000 971524.2076 138967.2813 136711.9805 1923284.7090 1105072.8500 311123.3903 1031529.8500 421153.2570 397306.3570 4762343.2910 144849.4825 1395356.4360 3047795.9350 137052.8848 3494441.3560 210726.3241 1880807.0280 3450708.4430 116201.5148 2272484.3760 342447.3570 5335062.6740 935576.8488 995599.8628 3755243.4920 154987.5519 11218604.1600 188661.5637 284818.1903 12688700.9100 384498.3333 1363848.2670 5246647.5180 92530.2649 5118195.9810 309937.6333 1341537.3700 192738.9750 208618.8392 1823565.3760 1020773.3830 336807.1570 N-Acetyl-L-alanine 9520443.8590 19631082.8400 32895201.4800 6247635.7100 8792770.1670 26035996.7900 2255351.2600 2379716.7120 11217771.4800 16732321.4700 12601779.7700 14174158.1400 22983896.4300 9859813.4330 21024610.4800 2679584.5130 9941689.4540 25051010.7800 2560093.0640 10652542.8100 924883.5865 15666932.8400 27267857.7300 2320416.5410 12240834.8100 16507979.7700 22778719.8400 30187682.4500 7575834.0000 27178593.9400 2971385.9800 7543372.0430 3557160.7010 14592336.4300 8169263.3770 9953886.5000 9975888.0250 21990715.7400 848900.7979 6824077.0430 8913569.1670 34089985.2500 2961264.6020 3767943.4140 15702761.4800 18241841.4700 14538239.7700 N-acetyl-L-ornithine 2423559.7640 5129918.1250 7199407.5350 6171420.0000 6708726.6670 13747640.1600 644388.0064 401395.1806 13187049.5100 7017338.6510 11941581.1300 6884412.3170 11079624.4700 3280007.8010 3989275.5570 498593.5896 2634283.0940 5171935.7130 571457.1754 2275637.3770 118698.4680 4089623.0170 3547881.7090 340529.6948 12988792.8500 9069604.1350 4921292.0960 10059400.1900 4608304.5810 6033135.4400 614066.0545 6468540.6670 455967.0538 9934317.1350 6140464.0000 5023093.0000 2531290.8760 3962546.8930 200048.9204 4653867.0000 5182957.0000 12324418.8800 534004.4921 479153.4781 11797689.5100 5777135.6510 10624124.4700 NAD+ 429310768.6000 47587315.2500 199923052.6000 1497754569.0000 67478113.3300 841880377.3000 3292004.1290 4943167.8000 241507980.0000 49249123.3300 110836000.0000 50596653.3300 108194600.0000 89668230.0000 47551005.7600 3224693.9580 424117224.8000 142741283.5000 3676122.2020 57320146.5400 6765141.4230 364789911.2000 142882120.9000 2751814.3650 248434413.4000 110043366.7000 47089520.7600 551636209.3000 124915842.6000 176124760.1000 3778978.1810 1515116569.0000 6810254.0670 111427433.3000 1466264069.0000 65455100.0000 446358526.5000 50800095.9400 6151347.2620 1515434569.0000 67299016.6700 577193369.8000 4486349.0920 7096719.2730 246927613.4000 49304170.0000 111303833.3000 NADH 22013574.3500 5471332.3920 19014949.4000 5217923.3330 1118669.7330 4825739.4120 105068.1837 1463412.2100 3059670.3330 1362087.0000 3182021.3330 1390720.6670 3355576.0000 5106439.3330 4228789.5220 142328.2070 23236624.1200 18365514.9400 103729.0138 3551515.8880 738916.9585 19019145.7500 22094885.4200 207952.7514 3265468.3330 2988971.0000 5757517.5370 3728754.8420 6776253.1810 15682018.0800 158224.0356 1895379.6670 1260670.8260 2614052.3330 1836808.0000 960404.7667 22078259.0500 5677890.8690 431508.5321 2204592.3330 2501333.6670 2892540.1120 314376.0061 1728474.4520 3392929.3330 1652599.3330 3260397.0000 NADP+ 92988617.1700 157814801.1000 776532515.3000 233289209.3000 209818119.1000 236497227.2000 15041217.1800 14713662.6100 185820498.6000 72760783.8000 129315862.9000 69868070.4700 113119596.2000 104285729.6000 156150739.5000 14093509.4100 90574649.3200 483882984.4000 14967584.4200 210512170.5000 17907593.5600 75560928.0700 526583668.3000 11604319.3900 181610465.3000 116594129.6000 159182734.1000 211067021.6000 37159773.6500 577796149.8000 15936424.3800 203311242.7000 18519549.3100 113261362.9000 248237726.0000 187668652.4000 99742500.6200 140823315.3000 15331016.4000 191822942.7000 176506219.1000 283286221.3000 15601559.3700 19121388.1700 181182098.6000 67016293.8000 115380362.9000 NADPH 3946964.9440 13311036.9100 40793079.4200 12068975.7200 10936168.1000 15389049.3300 776679.3533 758852.3009 24775667.0500 4973834.0000 12455311.5100 6511832.0000 12869110.8400 20947284.8400 20464947.6900 742154.8594 6588385.1660 25039558.9000 777484.9293 21349440.7400 969112.0041 5858355.3640 26824257.3900 585184.7304 25094885.0500 12060690.8400 13960152.6600 12758028.3600 2714060.8880 28914755.5600 858900.7023 10327599.0600 926299.3097 12372481.5100 12752060.7200 9697387.1030 3908906.4880 22449605.7000 766287.9698 10038058.7200 9096569.7700 14876596.4100 786722.0536 996702.8980 25463573.3800 7115220.3330 10486806.5100 N-carbamoyl-L-aspartate 1961849144.0000 3198834862.0000 19608961697.0000 2004793667.0000 3106440887.0000 8339257143.0000 496311835.4000 574140711.2000 4467623222.0000 2101264780.0000 1915513402.0000 50040910.2200 2373939735.0000 74791965.3600 3013268229.0000 596591430.0000 4618525908.0000 16177766328.0000 612944111.4000 55976063.6900 55033146.0500 228281453.4000 22676401559.0000 518125068.3000 4486345888.0000 2391785735.0000 3717235591.0000 10446843173.0000 2789806548.0000 27359623242.0000 750825417.5000 509575900.0000 787678975.3000 2809970735.0000 845859300.0000 8646268887.0000 1968459612.0000 307938798.1000 74826073.4200 339580266.7000 381514553.9000 3932050392.0000 293012748.9000 380036284.8000 856200721.6000 222076746.9000 250188468.7000 nicotinate 6300713.8100 46189714.1600 144932439.3000 23769135.7300 58997907.7000 41730428.0800 4026314.1050 4416189.5940 16746231.6400 12075472.2200 21532593.5300 8327625.2230 25923446.8700 16232396.8700 26566520.9300 4072546.4940 9440800.4530 117879691.0000 4372461.2700 24470972.3500 4556499.1810 12260357.9600 120226913.9000 3371676.0190 17455458.3100 24300926.8700 45848743.5200 39053642.5800 8367920.9660 135461802.6000 4553470.3910 29184942.4000 6008500.9280 19549060.2000 24611604.0700 53026124.3700 6794888.2120 34723812.0700 3562960.6550 24963455.7300 48701564.3700 56664902.5800 4889371.6440 6390911.8310 17596731.6400 14652762.2200 28330080.2000 Octoluse 8/1-phosphate 2714781.8160 22453206.5900 6989255.4110 1594009.6670 5991454.1970 1009223.9780 1211229.1080 11211695.6000 11600223.3300 10004702.2800 13366123.3300 7989874.9510 10026774.6200 823293.5558 1987378.7350 18387546.5500 1164796.5820 1325178.1200 2500843.4270 18803278.7700 818037.8386 10997218.9300 11625508.2800 4857593.8220 1150959.5850 22342372.6900 1189308.4590 7062768.7440 1678886.1300 11283918.9500 6460547.7440 1559919.6670 2298471.8340 631289.7575 6782418.0770 1660312.6670 4796694.5280 1475080.9450 1619539.3330 10817055.6000 10440246.6700 9625498.9510 Octoluse Bisphosphate 3250799.9460 15933881.4500 14784791.8700 13463400.5500 9082577.0290 18400072.5600 12469552.2500 4897151.5070 7507687.3970 8738807.1730 5677260.3970 2019038.7300 18558055.3500 3389608.7340 11816017.1600 12550273.3700 3186188.3090 9667562.8990 12119065.5800 6729161.0630 17904538.7700 17142391.2600 1655344.6040 8235968.8800 14756443.8900 6996195.7300 14284338.8900 9214837.6950 3519031.5730 19960897.2500 420183.6526 13654323.8900 10176809.3600 21820174.7800 13395462.2500 5177835.1730 7397649.7300 ornithine 1436229.9660 37470429.2100 2891407.5670 4363912.0020 106893.0422 160600.0829 2870320.2170 2481281.3530 3475646.5500 2047957.6870 1724165.3530 945620.2702 113893.6829 105308.8247 1449227.1370 161822.8322 71193.8000 2438137.6870 1637656.5080 4515995.8600 115618.5446 51932402.5500 216671.1909 2291658.3530 37488205.8800 2532611.2330 2062700.1660 41051605.8800 1704498.9000 4175633.9670 111732.6179 215228.0743 2292643.2170 2218391.0200 orotate 48266241.5200 281931867.9000 353788958.5000 34587487.2400 63193431.0700 95109066.6000 11165884.7500 6828067.2830 15161313.3300 33164833.3300 25478026.6700 4919960.0000 29181346.6700 5229632.0000 187889195.1000 11162599.8900 58085665.9400 261865772.7000 10147629.3400 24770531.5200 8937014.6230 25744776.4800 339991886.9000 6108921.5170 15794776.6700 56348540.0000 282218824.9000 45732549.6600 24809821.7300 214830444.0000 7006281.6190 22589400.5800 9654581.6040 24666773.3300 26473605.5800 41354431.0700 48029695.1300 58137706.9300 3995012.2740 15218030.5800 13086724.4000 156159117.9000 8290389.6920 14909268.9100 20651393.3300 22665130.0000 16254650.0000 PD 384293401.2000 794179603.3000 493818413.8000 850638300.0000 313683133.3000 1347627387.0000 59908586.6700 43299645.5300 745429996.1000 501634185.3000 635346447.3000 720538818.6000 375933747.3000 266196814.0000 715263185.8000 54354422.2000 364468202.2000 338488394.6000 62252411.6700 402574694.8000 15223875.3100 464800913.6000 297729500.0000 43014968.7700 759046662.8000 517538480.6000 788218082.5000 1125086774.0000 485001796.7000 417505147.0000 63779748.6500 718803733.3000 48887407.0400 537433414.0000 756511868.0000 266947566.7000 391531530.6000 613867501.8000 8699773.5760 632883933.3000 217380600.0000 1182614647.0000 62011269.7800 45703694.5000 597171996.1000 390438118.6000 461422114.0000 PE 27650670.9000 63683391.7900 41426580.5300 27802606.5900 60083923.7500 121830283.5000 5814152.0930 2880442.1480 66782615.7200 41268591.7600 69756295.6900 67457821.7600 52030449.0300 16206792.3600 54766884.8100 4973815.3020 23926388.4000 27103488.9500 5682381.2730 29922085.0700 754362.8847 31482938.7000 24116747.4000 3733235.0510 68166802.3900 53419709.0300 61884039.3300 93052574.1800 42212085.4200 30066163.7600 5764820.2630 37181697.5600 3576651.1400 64621859.0300 30354701.0100 52768960.4200 23899922.2400 47096764.7300 742868.5756 21287355.5100 37847927.0800 104462919.4000 5122713.8720 2915164.6840 58086649.0600 28602378.4300 55260059.0300 PEE 15897247.1800 13585432.0400 63310262.2800 22632550.0000 15005700.0000 35829890.4600 5752247.1700 3285798.1120 18655260.0300 7814002.7070 16845043.3300 8818604.0400 16566683.3300 3545848.6670 11910517.2300 4451450.1030 13504660.9000 39720531.8200 5217521.0250 19807678.9700 2547780.1220 12094648.7100 35158574.9200 3122953.5290 18468416.7000 11405067.3300 13108949.2500 26909674.2200 11177520.7100 44379772.0900 5370379.8970 18976426.6700 3899889.9950 14605750.0000 23245500.0000 12389423.3300 16484604.6900 10798049.5500 1274898.2990 14369910.0000 9288516.6670 32058505.6600 5664374.8120 3533156.0830 16425346.7000 7629782.0400 14906583.3300 PEEK 704480.3047 1726877.1680 2420157.7770 875308.9327 316333.1667 1185333.2350 53279.1712 47521.9674 2141214.0000 1021752.7000 2088905.3330 668058.2000 1746560.3330 49014.6767 1224080.0060 40926.8498 528484.4414 1387951.9870 46194.6851 1474546.5370 25689.4399 719234.2956 1027758.4710 24459.6260 2050432.6670 1271049.6670 1668120.5260 849294.2267 653277.9935 1537770.2280 42409.9476 828087.8660 43999.9422 1674458.3330 773949.0827 213471.7667 751529.4752 1286578.3290 48281.6309 474589.4327 100508.0567 1068644.1160 37394.7991 52605.1045 2020747.0000 871909.4667 1622171.0000 phenylpyruvate 3742015.3390 615994.2138 10412.8333 542286.6667 625863.1000 602839.0000 793734.3000 1057937.6000 3858408.6080 1076496.7310 6501070.5960 11025.4667 830098.4333 8140018.9770 1222927.7050 1145136.7000 4062295.7980 1410110.8390 19139.1333 429186.3333 397613.1667 phosphoenolpyruvate 36052634.0700 47597005.3500 985751053.0000 162552602.9000 97698703.0000 235229403.9000 20098418.3500 19899397.7400 92235631.7900 40102727.5800 41159680.0800 119832017.6000 28090420.0800 32212246.7500 55289495.8700 20887126.2900 42865328.5400 685149613.4000 19893174.2900 98956299.1400 28727823.3800 66707717.1400 657828831.2000 17231201.8900 79117571.7900 37131620.0800 53088710.0000 237910315.5000 19874874.5000 748738332.5000 20587897.0000 209708736.3000 29218717.5900 37206226.7500 175212952.9000 99715323.0000 35796797.1600 64719392.8400 23075005.8400 247980802.9000 130242503.0000 296773334.2000 22090856.7300 30902907.0800 98801701.7900 41276207.5800 42676420.0800 p-hydroxybenzoate 513754.2231 440794.2721 932989.1933 455068.4533 608670.0200 305530.9289 517850.5107 400440.3347 722612.4942 256625.9345 725082.9600 425252.8867 521055.0716 369424.9071 500064.3533 287490.0781 12252.8339 770574.7267 388978.9867 PRPP 7539989.9470 13109076.6300 12482793.3000 908289.7667 5655311.6540 1068068.3170 10036399.6300 1903334.6030 9115068.9670 7015237.4920 14939955.9700 PVNF 13926682.5600 8813487.2660 48393780.4800 13916993.3300 11255770.0000 23747594.4100 4005821.3260 2597906.6510 16295606.6700 3138665.0000 12730607.4000 3300030.3330 10379313.7400 354837.0700 8473876.2970 3204463.0120 9138537.8060 28758292.8800 3502001.7270 1495953.5250 256283.2865 10649579.4600 23608565.0100 2305124.2220 14808166.6700 7287268.4030 8935368.2590 18009428.1300 10212828.5600 28516460.8300 3556515.8770 12357203.3300 3233354.2670 11490654.0700 15337115.0000 7942235.6670 14123863.8800 7328828.0080 878003.2340 8398344.0000 6556540.3330 22296385.7400 3854438.0440 3084179.9920 17520503.3300 5333115.0000 11115131.0700 Pyroglutamic acid 252444025.3000 136068197.0000 1495095709.0000 212010178.4000 249367338.1000 593276848.2000 56200071.8400 67161137.5000 386103400.0000 301446063.5000 313072942.0000 271618263.5000 369576275.3000 403756475.3000 145790693.3000 59909280.4600 364244482.0000 1626322559.0000 63971169.0600 167153069.2000 79509507.0400 318581640.4000 1138366361.0000 45977708.7500 431400666.7000 346279975.3000 182817629.0000 612800999.4000 115276476.1000 1397924546.0000 58895995.3000 299563545.0000 101575521.0000 294174808.7000 267627261.7000 240098671.4000 307685888.2000 228279377.3000 39266134.9900 264437411.7000 311229638.1000 867970821.3000 89039952.2500 114270869.5000 458487933.3000 389264996.8000 389087608.7000 Pyrophosphate 20773983.8800 3597108.8330 2322111.8330 29178662.7700 18668327.5500 25965663.8800 37956819.5400 5178907.1670 pyruvate 65447026.7000 259939175.1000 721213816.2000 124064273.0000 353706640.0000 457656151.6000 30605060.9100 17744337.4300 105730451.3000 275069466.7000 152245848.3000 2591719667.0000 186568115.0000 58609718.3300 246776601.5000 35014106.5200 76645426.9100 665741984.0000 29434967.6700 378130719.6000 27804335.6500 136662650.6000 656955070.9000 30237104.4900 113770491.3000 177863215.0000 256462755.2000 560336684.8000 57472368.0900 781069191.6000 37629814.3600 331171173.0000 47412507.3400 249066648.3000 260650856.3000 456188140.0000 65770339.2000 348439688.9000 28270579.0800 415303173.0000 490454006.7000 953217607.8000 47495888.8400 50213194.0200 216340691.3000 418962800.0000 294298115.0000 ribose-phosphate 38247347.6300 1699301.6630 696367710.5000 82382883.0700 16483001.3400 13482513.7300 31938510.3700 74139199.1500 29781743.7000 49984835.8200 67731255.8200 2176270.2480 43891446.8000 503775118.7000 4087423.0580 55226086.7800 528749527.2000 13056536.4000 79799302.4800 2631573.6090 24677892.2500 595490474.8000 90150639.7400 83363562.4800 88591309.7400 15806981.3400 42757667.5000 4301354.7330 17170294.0100 100029903.1000 21947604.6800 14435135.7300 35913153.7000 61601495.8200 S-adenosyl-L-homoCysteine 8794793.0450 3577750.9850 6487280.1390 2736236.0000 1558907.6670 4384108.5850 183107.9961 401821.4559 2165749.3330 1569758.8210 2094988.3330 1450500.8210 2004535.0000 1608934.3330 3555119.1610 164840.4306 7995163.2550 6129721.2160 214117.6067 3764041.9300 360549.9595 12274110.2100 5530321.7830 145479.3919 2167321.3330 2099213.3330 3689527.6310 3714376.4980 5044654.0990 6613993.8680 210844.6680 3552905.6670 517479.0766 2069287.6670 2550810.0000 1447441.0000 9293915.2330 3841073.2830 351809.0576 2758083.3330 1596686.3330 4755221.1460 267911.9426 573222.7151 2462837.0000 1717292.8210 2300347.0000 sarcosine/alanine 2340229.6950 13709701.7500 10835600.5900 22517943.9000 1195282.5040 1039237.5540 885125.2833 8212782.4270 10097117.0700 16138236.7600 14152750.4000 2999521.7330 9840133.7130 1243067.2020 1461117.1010 1327950.4920 12059210.1300 1033483.7440 3253098.0850 1078440.5620 877112.8500 11808837.0700 15545166.2000 1474615.5400 1521103.4140 15996927.2500 2048918.8850 13316680.4000 14681353.9200 23388270.5700 1985188.7950 15148270.6900 15340307.2500 22761140.5700 1797078.4290 2110735.6170 1329207.3500 9430795.7600 14651187.0700 SD 6013859.0210 17933759.1000 9737178.4860 3332757.6670 11270866.6700 19206578.9900 1653098.2440 950385.9471 32326405.0900 17305390.0000 32258460.6900 22211793.3300 31338084.0200 15397797.3500 16638056.4200 1415510.8040 5128280.6500 6208695.7100 1710632.5120 7213130.0150 466373.0363 6685391.0440 5546987.4140 1087644.2810 32917151.7600 27551257.3500 17434250.7100 15723437.9900 8233623.6600 7186152.2720 1769893.2620 3447854.6670 1188578.9290 29216517.3500 3733873.0000 9005720.0000 5164112.6390 15332032.3000 195925.7751 3002504.6670 8442567.6670 18432516.9800 1848954.3190 1194567.2080 29825745.0900 14240946.6700 28745410.6900 Sedoheptoluse bisphosphate 8367401.0830 46106261.9900 13779287.0000 39119319.5800 25294380.9300 11845310.2700 14034937.2300 17475693.6000 11828650.5700 8062235.9000 54959223.7100 8456985.4220 37701378.5100 9480644.4100 24024290.9300 13857533.9000 51483365.2400 36944806.8300 4770926.5980 13188960.5700 14123940.3300 9663574.8660 71714142.3400 20756663.6700 49683494.4300 26291760.9300 12830413.6000 14867063.9000 S-methyl-5--thioadenosine 2895927.9930 4573070.2700 1178030.5600 2472478.9090 3269520.7760 401339.3325 574641.3484 2145277.9670 1188719.5380 1265076.7580 702564.6050 1477452.8580 800845.6913 2178642.6800 377755.3747 3002404.2250 433902.6209 2807707.9020 569448.7040 3077550.2680 322228.7566 2023334.9670 1151480.5910 2778069.1110 3092432.4590 3180725.1210 408552.7439 1245665.5600 704691.3777 1517553.8910 1503125.5600 2575445.5750 2044156.5420 92044.3121 1074516.5930 2565701.2420 3059922.6120 381721.5532 691926.7904 1785348.6330 800042.1050 1533455.5580 sn-glycerol-3-phosphate 189761168.1000 277446064.9000 1638367040.0000 434127866.7000 345142501.8000 585780681.4000 102194589.2000 98828619.4000 925465678.6000 1025738677.0000 1200405640.0000 1215751677.0000 828504506.4000 1561767640.0000 310931625.8000 93650069.0600 232995178.0000 1330585558.0000 108753968.9000 218408338.1000 74720739.1500 205163473.8000 1511072653.0000 83228563.0700 868201745.3000 954852139.8000 259086175.0000 503562307.0000 133356171.8000 1278103106.0000 90546947.3200 332092633.3000 96774517.2600 760058606.4000 322312350.0000 275721035.1000 202539271.5000 222200205.3000 66848325.7200 363788866.7000 314189235.1000 549699876.9000 114032598.5000 119727169.3000 768518445.3000 863593710.4000 883635839.8000 succinate/methylmalonic acid 247354824.8000 566913072.8000 2344548110.0000 534195730.0000 1346885077.0000 1098349890.0000 167548175.0000 164464014.3000 246738723.0000 322033040.0000 452331710.0000 393184173.3000 369891776.7000 780744176.7000 544305499.0000 165384223.0000 212917746.9000 1828331838.0000 168820358.2000 387689826.7000 156435460.1000 411626412.2000 1646379852.0000 131239708.0000 255156456.3000 432127876.7000 549337765.1000 1033916483.0000 187480687.7000 2740941336.0000 265646144.7000 727042896.7000 266420206.0000 467229576.7000 706412930.0000 1317320077.0000 262734773.3000 667562977.1000 65957488.3300 670888896.7000 1572512410.0000 1622943801.0000 303545779.1000 281113455.9000 505858323.0000 515914473.3000 580710810.0000 thymidine 1145275.7880 79359.7667 53157.0067 268843.1902 55056.7851 56006.5300 1234171.1650 51102.0044 60260.3068 1322966.5450 101562.4323 32959.2395 1240148.7890 221021.8909 48661.3613 182819.7000 78514.5728 162231.2500 34564.5400 2289046.2920 229993.5333 105310.8667 503928.9405 83659.2056 145292.5656 thymine 33833.4233 44471.7567 39222.2567 UDP 37129230.6900 123368747.8000 180120532.6000 95920572.9700 466520783.7000 82999630.7700 6265226.7070 5372988.8700 24706654.7000 29576345.2700 43082449.3700 30241031.9400 43249266.0300 31157776.0300 122060994.1000 5591954.4970 25700395.0300 97873369.7400 6403923.8250 223970413.6000 18625558.7100 36455273.0800 78971905.4300 2905011.6820 25520031.3600 41321709.3700 126191998.9000 60102726.7600 5065259.1210 68639395.0300 3154455.8970 112058839.6000 6478657.0180 24808612.7000 98151477.9700 198897383.7000 39419799.3900 156478735.8000 4807324.7970 90574792.9700 226713250.3000 175596891.5000 12314538.5800 17233750.4400 90168254.7000 46119178.6000 80327156.0300 UDP-D-glucose 107158308.2000 145445487.8000 1017922264.0000 318842966.7000 212343058.4000 405130440.3000 32213654.6700 41288091.6100 233388327.2000 93775560.0000 158838833.3000 99977190.0000 150176266.7000 155153133.3000 143298005.6000 29323467.8400 102318316.9000 692021354.2000 34732046.8900 179234112.0000 58497045.0800 91977933.2200 719606904.0000 25589716.2800 225222993.8000 151466300.0000 143856699.3000 353038450.9000 35085403.5900 855271578.6000 37124079.3000 307191533.3000 57512041.1600 149143533.3000 317423800.0000 199447225.1000 108720397.4000 141442750.3000 20820393.4500 303062200.0000 211924958.4000 395933128.5000 40038739.2700 58809910.9200 229513127.2000 92754806.6700 153378833.3000 UDP-D-glucuronate 4851605.1900 11132527.0300 498415.9371 8552035.6670 1075957.4990 1325590.5340 9681959.0850 4440047.3330 5583999.3330 4794165.0000 5183183.3330 5272780.6670 11757293.7800 1193066.5540 4381823.5610 569433.5299 1126617.0920 14733687.8000 1523217.4180 3371220.9580 779670.6962 894956.9153 9854655.0850 5107432.0000 11553667.9100 1604086.8810 734704.8586 981542.4478 1733864.4060 5112870.0000 8215839.3330 4895503.2160 10947768.1600 66219.9566 8840748.6670 1296975.9670 1329608.8090 10237875.7500 4382190.6670 5185548.3330 UDP-N-acetyl-glucosamine 47916303.0100 121155338.5000 700750370.1000 251088500.0000 155160233.3000 261998797.1000 29555007.5400 27965426.0000 141604044.4000 65018063.3300 115150966.7000 78669253.3300 110181833.3000 119587466.7000 123945727.5000 27350946.6600 30945544.7000 474982051.4000 32523383.4500 166984226.0000 47325460.1700 79579635.6900 479213081.9000 22371474.8400 139910111.1000 109234466.7000 119531320.1000 211371940.1000 9271880.8880 568377091.7000 31596594.3300 270705666.7000 37541194.2200 100926540.0000 265704700.0000 132613400.0000 51344359.1900 146993032.0000 14959467.2400 272735333.3000 175978966.7000 305532473.4000 43780760.9200 51279945.6100 182597744.4000 80918323.3300 126819433.3000 UMP 1123472.4050 99401681.6300 1382987726.0000 137445543.5000 345083819.9000 513508331.0000 11962633.8300 2090209.3690 99823725.1200 143832272.9000 86421875.1200 78602022.9200 82777389.5900 138983257.4000 10000.0000 828315329.7000 295898957.0000 46466268.0000 174124705.3000 629727727.8000 2248797.7030 102587302.9000 90019788.3900 267180697.5000 10000.0000 695906849.8000 184370010.2000 14347029.7500 75395352.9200 161445110.2000 154041986.6000 3654917.3370 142294292.8000 22619092.2100 243536910.2000 233053653.2000 723371968.9000 30727905.9400 6064579.3690 114291928.5000 206085839.6000 uridine 294997.6711 1359763.0600 709796.1000 1393975.6670 1355057.5780 52660.4515 59246.3815 1337732.4200 480705.4000 632457.3290 493603.8667 825419.8957 584490.0623 521938.9475 43468.4938 94217.4101 39904.1325 4890898.9660 53231.3474 1050014.2370 35309.2986 1414457.0870 1072732.1620 1124654.7510 1185115.0710 315852.1934 51018.4272 961887.1000 85619.9419 619529.1957 766754.8000 1169237.6670 273448.8275 1478812.1230 874761.7000 1222540.0000 2029813.3890 47663.6343 114427.0158 1969826.7530 737055.9667 964162.5957 UTP 87688928.9200 887558497.5000 236643236.3000 4868293.2720 3246857.8660 114717611.7000 431492653.3000 382794458.4000 361434553.3000 348538286.6000 1242790663.0000 74817452.2500 1384458352.0000 6021925.1420 81735008.3200 3413665.8660 412134786.6000 876668842.8000 30541234.8400 7586109.9330 258085786.6000 159016402.9000 94549645.1300 1519227236.0000 419022102.9000 3990553.0760 9483560.1990 377384248.4000 637856286.6000 VD 15086004.9500 1178458.3770 9625734.9880 9660536.7010 3153401.7490 20217519.8500 995738.9347 226186.9000 2662602.9950 1842820.8410 3488911.2350 3072418.1740 2597883.2350 1154388.9020 1392379.3790 751638.3812 15246200.6100 6610133.8460 1832231.1200 826322.0957 39579.1392 13694146.9000 5667723.3130 815183.8098 2744502.9950 2936811.5680 2037194.8730 15870588.1500 9566959.7240 7947880.9910 1461461.6270 5360154.1070 281233.9530 3381377.2350 14346403.5900 2649243.0830 16296143.3900 1081908.9980 307546.4569 5921480.2970 1944119.4160 18581584.5400 1975158.1180 153163.8030 2571127.3290 1377631.5070 2985633.9020 xanthine 832793.7811 1054010.5970 1986393.8140 773701.8000 461789.4667 712686.6319 32747.2101 48714.1771 682656.0267 205947.5480 383387.4740 87016.3213 317885.8740 560804.0073 649605.6561 26773.9861 3218366.8500 4112892.0000 36588.4249 794446.2206 450543.8708 276089.3966 1641528.5900 16699.5923 752484.7267 489052.6407 836513.4303 610628.0067 661290.5123 2277676.4840 23217.2428 786729.5667 43346.9393 275807.7407 678228.2500 310530.0000 1361891.4700 734537.5552 33806.1693 388758.7667 331447.9000 755942.9512 37887.0627 61291.6180 544546.4267 278509.4147 380324.9407 xanthosine 2190844.7890 4174271.0370 12527687.8900 1385966.0000 1768502.6670 5459970.5470 890614.7561 742610.8406 300006.9003 6071285.3330 4220777.6670 7133380.0000 5238294.6670 2229255.6670 4448305.4180 970457.9862 1261048.7270 9354658.9490 921756.2372 1578265.8340 472574.3306 3354481.7090 10619070.6200 773956.0891 266237.5003 3698581.3330 3928168.2820 5706671.7840 1720643.7320 13200094.7000 993762.4229 1529037.6670 1304963.8210 3898650.0000 1584802.5000 1709757.3330 2964132.1970 3608916.9630 319109.2381 1480489.6670 1834813.3330 7312640.5140 1084243.7910 1090377.1240 337669.7003 6593113.6670 4209104.3330 xanthosine-5-phosphate 2181085.9590 4541141.0780 103176935.4000 10908709.8200 2413054.6670 5157406.2720 170515.1229 260365.5707 2413397.1700 699490.0333 1149214.7000 599497.0333 1396034.0000 6305099.3330 5661872.5760 142712.3395 1838943.1930 63036231.1700 162785.1665 8468753.5820 526926.6036 1716720.6410 72411450.9900 107590.1312 2217797.8370 981154.5333 4707715.7570 3213835.4550 592726.1344 52979131.3900 134529.1246 9788531.4890 356454.2720 931449.9333 10108886.3200 1935105.6670 2354400.3600 6160911.1940 2172585.3340 9124965.8230 2807577.3330 4294530.0600 235263.4713 454468.8613 2912575.5040 1027379.3000 948430.0667 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2_3-Diphosphoglyceric acid 14.68 264.952 2-dehydro-D-gluconate 5 193.0354 2-Hydroxy-2-methylbutanedioic acid 12.06 147.03385 2-oxo-4-methylthiobutanoate 13.75 147.0121 3-phosphoglycerate 13.58 184.9857 3-phospho-serine 8.2 184.0017 4-aminobutyrate 4 102.0561 4-phosphopantothenate 13.94 300.08429 4-Pyridoxic acid 14.14 182.0459 6-phospho-D-gluconate 13.38 275.0174 acetyl-CoA 15.46 808.1184 Acetyllysine 1.1 187.1088 aconitate 7.32 173.0092 adenosine 1.27 266.0895 ADP 15.85 426.0221 ADP-D-glucose 13.72 588.075 alpha-ketoglutarate 13.13 145.0142 ATP 15.76 505.9885 carnitine 1 160.0979 CDP 13.53 402.0109 CDP-ethanolamine 6.38 445.0531 citrate/isocitrate 13.13 191.0197 CMP 8.61 322.0446 CTP 14.75 481.9772 cyclic-AMP 12.97 328.0452 cytidine 1.2 242.0782 dAMP 12 330.0609 dATP 14.82 489.9936 dCDP 13.58 386.016 dCMP 9.8 306.0497 dCTP 14.8 465.9823 deoxyinosine 3.9 251.0786 deoxyribose-phosphate 7.74 213.017 D-gluconate 5 195.051 dGMP/AMP 11 346.0558 dihydroorotate 5.88 157.0255 DLH 3.73 382.1732 D-sedoheptulose-1/7-phosphate 7.29 289.033 dTDP 14.41 401.0157 dTMP 11.27 321.0493 dTTP 14.75 480.982 dUMP 10.28 307.0337 dUTP 14.81 466.9663 FAD 15 784.1499 FMN 14.54 455.0973 fructose-1-6-bisphosphate 15.05 338.9888 fructose-6-phosphate/glucose-1-phosphate 7.98 259.0224 fumarate 13.49 115.0037 G3P/DHAP 9 168.9908 GDP 13.9 442.017 glucose-6-phosphate 6.85 259.0224 glutathione disulfide 12.94 611.1447 glycerate 6.35 105.0193 GMP 11.04 362.0507 GTP 14.95 521.9834 guanine 3.4 150.0421 guanosine 4 282.0844 hypoxanthine 1.18 135.0312 IMP 11.58 347.0398 indole 7.5 116.05 inosine 3.5 267.0735 lactate 7.28 89.0244 LD 8.65 245.1143 malate 13.68 133.0142 myo-inositol 7.2 179.0561 N-acetyl-glucosamine-1/6-phosphate 7.3 300.049 N-acetyl-glutamate 13.37 188.0564 N-acetyl-glutamine 6.26 187.0724 N-Acetyl-L-alanine 8.41 130.051 N-acetyl-L-ornithine 1.21 173.0932 NAD+ 9.16 662.1019 NADH 14.14 664.1175 NADP+ 13.87 742.0682 NADPH 14.87 744.0838 N-carbamoyl-L-aspartate 12.25 175.036 nicotinate 11.2 122.0248 Octoluse 8/1-phosphate 6 319.04765 Octoluse Bisphosphate 13.64 399.0099 ornithine 1 131.0826 orotate 8.66 155.0098 PD 4.68 229.083 PE 4.55 243.0986 PEE 10.5 372.1412 PEEK 3.38 500.2362 phenylpyruvate 15.1 163.0401 phosphoenolpyruvate 13.83 166.9751 p-hydroxybenzoate 10.88 137.0244 PRPP 14.94 388.9445 PVNF 11.64 474.2358 Pyroglutamic acid 7.69 128.0353 Pyrophosphate 13.87 176.936 pyruvate 8.82 87.0088 ribose-phosphate 6 229.0119 S-adenosyl-L-homoCysteine 6.86 383.1143 sarcosine/alanine 1 88.0404 SD 4.08 219.0623 Sedoheptoluse bisphosphate 13.64 368.9993 S-methyl-5--thioadenosine 11.6 296.0823 sn-glycerol-3-phosphate 7.3 171.0064 succinate/methylmalonic acid 11.72 117.0193 thymidine 5.4 241.083 thymine 2.6 125.0357 UDP 13.81 402.9949 UDP-D-glucose 13.44 565.0478 UDP-D-glucuronate 14.68 579.027 UDP-N-acetyl-glucosamine 13.37 606.0743 UMP 10.32 323.0286 uridine 1.7 243.0623 UTP 14.81 482.9613 VD 6.33 231.0986 xanthine 2.69 151.0262 xanthosine 7.77 283.0684 xanthosine-5-phosphate 12.7 363.0347 METABOLITES_END #END