#METABOLOMICS WORKBENCH araskind_20140322_9618021_mwtab.txt DATATRACK_ID:86 STUDY_ID:ST000044 ANALYSIS_ID:AN000069 PROJECT_ID:PR000043 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Pancreas Cancer Studies PR:PROJECT_TYPE MS study PR:PROJECT_SUMMARY Studies with Pancreatic cancer tissues PR:INSTITUTE University of Michigan PR:DEPARTMENT UMich Internal Medicine PR:LABORATORY Burant Lab PR:LAST_NAME Beecher PR:FIRST_NAME Chris PR:ADDRESS - PR:EMAIL chrisbee@med.umich.edu PR:PHONE 734-232-0815 #STUDY ST:STUDY_TITLE Simeone Pancreatic Cancer Cells ST:STUDY_TYPE Pilot experiment looking for the existence of certain molecules in pancreatic ST:STUDY_TYPE cells ST:STUDY_SUMMARY Pilot experiment looking for the existence of certain molecules in pancreatic ST:STUDY_SUMMARY cells ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 6 #SUBJECT SU:SUBJECT_TYPE HUMAN SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S00010702 Pancreas tissue type:Normal area of the pancreas with tumor SUBJECT_SAMPLE_FACTORS - S00010704 Pancreas tissue type:Normal area of the pancreas with tumor SUBJECT_SAMPLE_FACTORS - S00010705 Pancreas tissue type:Normal pancreas SUBJECT_SAMPLE_FACTORS - S00010706 Pancreas tissue type:Normal pancreas SUBJECT_SAMPLE_FACTORS - S00010701 Pancreas tissue type:Pancreas tumor SUBJECT_SAMPLE_FACTORS - S00010703 Pancreas tissue type:Pancreas tumor #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Tissues #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME EX00189-Sample_preparation_protocol.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME Waters Acquity HSS T3 CH:METHODS_ID AQM003:AQM004 CH:METHODS_FILENAME Column1_jetstream_grad9.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_PROTOCOL_FILE EX00189-Data analysis protocol.pdf AN:ACQUISITION_PARAMETERS_FILE Column1_solv2_jetstream_neg_grad9.m.zip AN:PROCESSING_PARAMETERS_FILE LCNegDataProcessing.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts MS_METABOLITE_DATA_START Samples S00010702 S00010704 S00010705 S00010706 S00010701 S00010703 Factors Pancreas tissue type:Normal area of the pancreas with tumor Pancreas tissue type:Normal area of the pancreas with tumor Pancreas tissue type:Normal pancreas Pancreas tissue type:Normal pancreas Pancreas tissue type:Pancreas tumor Pancreas tissue type:Pancreas tumor 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE 169530.0000 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE_1 56448.0000 48296.0000 1_2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 14759.0000 13(S)-HPODE (*) 328701.0000 1359274.0000 15(S)-HETE (*) 2128872.0000 1348115.0000 4748353.0000 1208058.0000 17ALPHA-HYDROXYPROGESTERONE 96241.0000 247542.0000 145303.0000 17BETA-HYDROXYANDROSTAN-3-ONE 206049.0000 716234.0000 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 31831.0000 40768.0000 29224.0000 36698.0000 1-HYDROXY-2-NAPHTHOATE 15618.0000 13979.0000 1-METHYLADENOSINE 73684.0000 1-OLEOYL-RAC-GLYCEROL 1578697.0000 11489084.0000 1189410526.0000 354195749.0000 376436.0000 137766.0000 2_3-DIPHOSPHO-D-GLYCERIC ACID 18411.0000 2`_4`-DIHYDROXYACETOPHENONE 107412.0000 96498.0000 21486.0000 84756.0000 78136.0000 174095.0000 2_6-DIHYDROXYPYRIDINE 23564.0000 37759.0000 (2-AMINOETHYL)PHOSPHONATE 31808.0000 2-AMINOPHENOL 32888.0000 37432.0000 2-CARBOXY-2_3-DIHYDRO-5_6-DIHYDROXYINDOLE (*) 1295968.0000 1231182.0000 70365.0000 2`-DEOXYADENOSINE 5`-DIPHOSPHATE 26207.0000 2`-DEOXYADENOSINE 5`-TRIPHOSPHATE 72537.0000 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE 47362.0000 124974.0000 2`-DEOXYCYTIDINE 5`-MONOPHOSPHATE 17868.0000 71458.0000 2`-DEOXYURIDINE 5`-MONOPHOSPHATE 12220.0000 17666.0000 2`-DEOXYURIDINE 5`-TRIPHOSPHATE 39806.0000 31970.0000 2-HYDROXYBUTYRIC ACID 47134.0000 26330.0000 2-HYDROXYPHENYLACETIC ACID 50312.0000 2-HYDROXYQUINOLINE 97501.0000 108917.0000 2-HYDROXYSTEARATE (*) 242352.0000 242558.0000 2257399.0000 935962.0000 332436.0000 2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE (*) 1699808.0000 1888783.0000 1688451.0000 1603670.0000 2208435.0000 3142543.0000 2-OXOADIPATE 64879.0000 46389.0000 199470.0000 3-(2-HYDROXYPHENYL)PROPANOATE 148055.0000 3_4-DIHYDROXYBENZOATE 58791.0000 26140.0000 3_4-DIHYDROXYPHENYLACETATE 245158.0000 290034.0000 3_4-DIHYDROXYPHENYL GLYCOL 36038.0000 170587.0000 68012.0000 184225.0000 3-(4-HYDROXYPHENYL)LACTATE 324364.0000 384650.0000 1023154.0000 3213919.0000 3ALPHA_7ALPHA_12ALPHA_26-TETRAHYDROXY-5BETA-CHOLESTANE (*) 21640.0000 3ALPHA-HYDROXY-5BETA-CHOLANATE 17377.0000 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE 300143.0000 282214.0000 27672.0000 210054.0000 397693.0000 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_1 28314.0000 63334.0000 207595.0000 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_2 28314.0000 63334.0000 207595.0000 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_3 300143.0000 282214.0000 27672.0000 210054.0000 397693.0000 3-DEHYDROSHIKIMATE 18278.0000 22563.0000 27576.0000 3-HYDROXY-3-METHYLGLUTARATE 884793.0000 430892.0000 461192.0000 619804.0000 1163045.0000 3-HYDROXYBENZALDEHYDE 36831.0000 13441.0000 187137.0000 36591.0000 3-METHOXY-L-TYROSINE 38260.0000 3-METHYL-2-OXINDOLE 19127.0000 14359.0000 3-METHYL-2-OXOBUTANOIC ACID (*) 10440.0000 3-METHYL-2-OXOVALERIC ACID 26431.0000 116431.0000 3-METHYL-2-OXOVALERIC ACID_1 34151.0000 209144.0000 130788.0000 151632.0000 42689.0000 141632.0000 3-METHYLADENINE 13754.0000 3-NITRO-L-TYROSINE 382747.0000 412233.0000 56976.0000 3-NITROPROPANOATE 43467.0000 3-SULFINO-L-ALANINE 38071.0000 77247.0000 84679.0000 56118.0000 133273.0000 4-(2-AMINOPHENYL)-2_4-DIOXOBUTANOATE (*) 133916.0000 135303.0000 209742.0000 180224.0000 178659.0000 335192.0000 4-ACETAMIDOBUTANOATE 32192.0000 371592.0000 50454.0000 4-AMINOBENZOATE 2014844.0000 1814292.0000 1880767.0000 1256275.0000 4-COUMARATE 30155.0000 26308.0000 398077.0000 453403.0000 66646.0000 88064.0000 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID 34897.0000 92946.0000 40266.0000 61894.0000 29675.0000 163528.0000 4-HYDROXY-3-METHOXY-BENZENEMETHANOL 15437.0000 4-HYDROXY-3-METHOXYMANDELIC ACID 217297.0000 387824.0000 4-HYDROXY-3-METHOXYPHENYLGLYCOL 16806.0000 4-HYDROXYBENZALDEHYDE 23716.0000 4-HYDROXY-L-PHENYLGLYCINE 13232.0000 4-METHYL-2-OXO-PENTANOIC ACID 30068.0000 203469.0000 68526.0000 145467.0000 23794.0000 130788.0000 4-METHYL-2-OXO-PENTANOIC ACID_1 22871.0000 4-METHYL-2-OXOVALERIC ACID 98680.0000 4-NITROPHENOL 81879.0000 4-PYRIDOXATE 264105.0000 338830.0000 232725.0000 233093.0000 4-VINYLPHENOL SULFATE (*) 63178.0000 78242.0000 78893.0000 198519.0000 101956.0000 171363.0000 5_6-DIHYDROURACIL 10762912.0000 10122031.0000 6429262.0000 5406440.0000 13564475.0000 14667490.0000 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE 62208.0000 60318.0000 87778.0000 78282.0000 5-AMINOLEVULINIC ACID 235066.0000 5-HYDROXYINDOLE-3-ACETIC ACID 73431446.0000 5-HYDROXY-L-TRYPTOPHAN 42417.0000 5-HYDROXY-L-TRYPTOPHAN_1 2184177.0000 793390.0000 93861.0000 5-HYDROXYMETHYLURACIL 190471.0000 185426.0000 5`-METHYLTHIOADENOSINE 112750.0000 188393.0000 113524.0000 5-OXO-PROLINE 1811491.0000 3121876.0000 15202762.0000 17301665.0000 2779122.0000 2630925.0000 5-PHOSPHO-ALPHA-D-RIBOSE 33723.0000 246186.0000 224909.0000 26543.0000 86771.0000 6-HYDROXYNICOTINATE 13006.0000 6-PHOSPHOGLUCONIC ACID 17284.0000 6-PHOSPHOGLUCONIC ACID_1 108461.0000 72577.0000 365870.0000 486393.0000 203582.0000 447811.0000 7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*) 57287.0000 121861.0000 1047708.0000 ACETYLENEDICARBOXYLATE 20572.0000 ACETYLENEDICARBOXYLATE_1 12201.0000 ACONITATE (*) 1737763.0000 1380639.0000 591839.0000 628573.0000 1065183.0000 988522.0000 ADENINE 18758.0000 ADENINE_1 1728310.0000 530949.0000 595638.0000 ADENOSINE 116388.0000 69522.0000 63955.0000 577825.0000 231519.0000 168819.0000 ADENOSINE_1 41173.0000 ADENOSINE 3`_5`-CYCLIC MONOPHOSPHATE 140326.0000 135820.0000 32637.0000 22340.0000 ADENOSINE 5`-DIPHOSPHATE 101187.0000 63157.0000 1899181.0000 3467036.0000 209664.0000 198043.0000 ADENOSINE-5`-DIPHOSPHOGLUCOSE 25593.0000 961374.0000 1349760.0000 71930.0000 54736.0000 ADENOSINE-5`-DIPHOSPHOGLUCOSE_1 30238.0000 ADENOSINE 5`-MONOPHOSPHATE 189511.0000 23626550.0000 33180954.0000 249560.0000 270998.0000 ADENOSINE 5`-MONOPHOSPHATE_1 1007030.0000 157547.0000 ADENOSINE 5`-MONOPHOSPHATE_2 1007030.0000 157547.0000 ADENOSINE 5`-TRIPHOSPHATE 18349.0000 ADENOSINE 5`-TRIPHOSPHATE_1 144189.0000 302443.0000 63254.0000 ADIPIC ACID 87072.0000 102466.0000 ADP-RIBOSE 124880.0000 150026.0000 290969.0000 378682.0000 118474.0000 105274.0000 ALDOSTERONE 71624.0000 448089.0000 ALLANTOIN 55805.0000 21033.0000 ALPHA-KETO-GLUTARATE 207375.0000 211502.0000 44829.0000 68520.0000 219505.0000 ALPHA-TOCOPHEROL (*) 126505.0000 24709.0000 61225.0000 AMINOBUTANOIC ACID 123578.0000 627663.0000 668971.0000 333369.0000 378663.0000 AMINOHYDROXYBUTANOIC ACID 1093571.0000 567145.0000 3038228.0000 2709178.0000 1700899.0000 1111092.0000 AMINOPENTANOIC ACID 2544257.0000 1854556.0000 22975363.0000 19324638.0000 6183449.0000 4838693.0000 AMINOPROPIONIC ACID / SARCOSINE 1693670.0000 58066.0000 465083.0000 458831.0000 109846.0000 3806947.0000 ANANDAMIDE 1087846.0000 416165.0000 ANANDAMIDE_1 61142.0000 ANDROSTERONE GLUCURONIDE (*) 132802.0000 ANDROSTERONE GLUCURONIDE (*)_1 37186.0000 262374.0000 ANDROSTERONE SULFATE (*) 28965.0000 75533.0000 ANDROSTERONE SULFATE (*)_1 182590.0000 1404791.0000 2053280.0000 365245.0000 ANILINE-2-SULFONIC ACID 43050.0000 135301.0000 157788.0000 28942.0000 67333.0000 ARACHIDIC ACID 37175.0000 ARACHIDONATE 3062353.0000 11713848.0000 1265445446.0000 2056676087.0000 15650579.0000 22386801.0000 ARACHIDONATE_1 76653.0000 ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*) 699590.0000 1277472.0000 2864070.0000 6013485.0000 7972421.0000 648584.0000 ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)_1 699590.0000 1277472.0000 2864070.0000 6013485.0000 7972421.0000 648584.0000 ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*) 220801.0000 598807.0000 13338386.0000 42389911.0000 2910058.0000 992710.0000 ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)_1 220801.0000 598807.0000 13338386.0000 42389911.0000 2910058.0000 992710.0000 ARGININE 12885906.0000 ASPARAGINE 313168.0000 1371463.0000 1326036.0000 ASPARTATE 1081335.0000 1046470.0000 7189966.0000 8074405.0000 2003380.0000 1924867.0000 AZELAIC ACID 431102.0000 415017.0000 4607561.0000 414370.0000 B-ALANYL-N(PAI)-METHYL-L-HISTIDINE 271855.0000 63941.0000 BENZOATE 166517.0000 149558.0000 17483.0000 212372.0000 204074.0000 BENZOIN 26357.0000 BILIVERDIN 34705.0000 60951.0000 181005.0000 BIOTIN 22256.0000 31882.0000 BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH 2140351.0000 116935.0000 BOC-ALA-OH 962314.0000 768725.0000 261664.0000 196133.0000 1023550.0000 918133.0000 BOC-ASN 40582918.0000 38767629.0000 23557194.0000 19460013.0000 51143107.0000 56264104.0000 BOC-ASN_1 40445468.0000 38757273.0000 23552096.0000 19460013.0000 51075750.0000 56246148.0000 BOC-HIS-OH 54317.0000 BOC-HIS-OH_1 81616.0000 BOC-MET-OH 28470.0000 44109.0000 BOC-PHE-OH 27675532.0000 25317081.0000 16777740.0000 12914501.0000 33623798.0000 33968164.0000 BOC-PRO-OH 21603.0000 25494.0000 BOC-SER-OH 401485.0000 466883.0000 BOC-SER-OH_1 25573012.0000 30501802.0000 97141.0000 [C13] METHIONINE 2650813.0000 2468983.0000 763567.0000 2893706.0000 1883380.0000 [C13] PHENYLALANINE 15000137.0000 12835215.0000 3498070.0000 2275833.0000 17936653.0000 10858305.0000 [C13] TYROSINE 5576930.0000 4979432.0000 5187607.0000 4652016.0000 [C13] VALINE 3531304.0000 3269982.0000 871562.0000 601656.0000 4041034.0000 2769602.0000 CAPRYLIC ACID 30206.0000 245389.0000 621045.0000 492909.0000 197557.0000 316114.0000 CARNOSINE 764666.0000 250103.0000 1795304.0000 1346258.0000 609584.0000 61874.0000 CHENODEOXYCHOLATE 136510.0000 308747.0000 454973.0000 CHOLATE 15727.0000 101609.0000 CHOLESTEROL (*) 77416.0000 18020.0000 75374.0000 20212.0000 CHOLESTEROL SULFATE 14910192.0000 CHOLESTEROL SULFATE_1 225924.0000 117413153.0000 1266784.0000 2098409.0000 CHOLINE PHOSPHATE 122867.0000 294707.0000 412434.0000 3565521.0000 221704.0000 134519.0000 CINNAMIC ACID 44695.0000 CINNAMOYLGLYCINE (*) 38877.0000 40691.0000 CINNAMOYLGLYCINE (*)_1 38877.0000 40691.0000 CIS-7_10_13_16-DOCOSATETRAENOIC ACID 5588602.0000 6530482.0000 142159140.0000 345628540.0000 10301529.0000 8530918.0000 CITRATE 12963272.0000 13791828.0000 3415047.0000 4526534.0000 11860724.0000 14485594.0000 CITRULLINE 37286.0000 CORTICOSTERONE 79366.0000 67520.0000 608229.0000 CORTISOL 67128.0000 127528.0000 42745.0000 CORTISOL 21-ACETATE 914260.0000 1126496.0000 CORTISOL 21-ACETATE_1 38336.0000 78986.0000 CORTISONE 45151.0000 559058.0000 71561.0000 96515.0000 CREATINE 946352.0000 605898.0000 1351484.0000 802516.0000 2576154.0000 CYCLOHEPTANECARBOXYLIC ACID 25798.0000 32116.0000 55372.0000 23948.0000 CYSTATHIONINE 204041.0000 495252.0000 234479.0000 201533.0000 CYSTEIC ACID 561996.0000 326244.0000 CYSTINE 280886.0000 369264.0000 535942.0000 303639.0000 26143.0000 CYTIDINE 61927.0000 25016.0000 2683479.0000 2985868.0000 27687.0000 84009.0000 CYTIDINE 5`-DIPHOSPHATE 23207.0000 43588.0000 CYTIDINE 5`-DIPHOSPHOCHOLINE 30968.0000 CYTIDINE 5`-DIPHOSPHOCHOLINE_1 43226.0000 41330.0000 59688.0000 78910.0000 92805.0000 65086.0000 CYTIDINE 5`-MONOPHOSPHATE 2765061.0000 3156656.0000 75055.0000 99946.0000 CYTIDINE 5`-TRIPHOSPHATE 23137.0000 18815.0000 20503.0000 CYTOSINE 57790.0000 DECANOATE 368939.0000 447568.0000 3325754.0000 2945537.0000 280043.0000 446068.0000 DEHYDROISOANDROSTERONE 3-SULFATE 469896.0000 163434.0000 460962.0000 684345.0000 315158.0000 111437.0000 DEOXYRIBOSE 359905.0000 307379.0000 DEOXYURIDINE 21141.0000 87038.0000 89276.0000 DETHIOBIOTIN 2642281.0000 2156107.0000 D-GALACTOSAMINE 94221.0000 224895.0000 6628400.0000 7279880.0000 1029681.0000 442579.0000 DIETHYL 2-METHYL-3-OXOSUCCINATE 22678.0000 DIHEXOSE 222417.0000 296084.0000 93169.0000 125105.0000 129833.0000 169185.0000 DIHEXOSE_1 23685.0000 DIHOMO-LINOLEATE (*) 391851.0000 1032824.0000 45574296.0000 58427357.0000 2539579.0000 613530.0000 DIHOMO-LINOLENATE (*) 372424.0000 1708255.0000 139947966.0000 308502613.0000 3309478.0000 3279718.0000 DIHYDROXYACETONE PHOSPHATE 352280.0000 DIMETHYLURATE (*) 163415.0000 DIMETHYLURATE (*)_1 103610.0000 DIMETHYLXANTHINE 240364.0000 353043.0000 421267.0000 1772217.0000 DOCOSADIENOATE (*) 359214.0000 DOCOSAPENTAENOATE (*) 375916.0000 1352665.0000 200327476.0000 514041625.0000 3950246.0000 1015406.0000 DODECANEDIOATE (*) 181162.0000 248061.0000 489927.0000 DODECENOATE (*) 95657.0000 186286.0000 2221293.0000 3034437.0000 227092.0000 DODECENOATE (*)_1 95657.0000 186286.0000 2221293.0000 3034437.0000 227092.0000 EDTA 422868.0000 227289.0000 27778.0000 251286.0000 163912.0000 ESTRONE GLUCURONIDE (*) 29658.0000 51745.0000 117878.0000 ETHANOLAMINE PHOSPHATE 170424.0000 128602.0000 FERULATE 205390.0000 252697.0000 20432.0000 21826.0000 FLAVIN ADENINE DINUCLEOTIDE 83809.0000 81277.0000 1091237.0000 2021641.0000 378990.0000 728343.0000 FOLIC ACID 28819.0000 FORMYLANTHRANILATE (*) 30229.0000 23154.0000 FORMYL-L-METHIONINE 238900.0000 119450.0000 2462743.0000 2405187.0000 456953.0000 526469.0000 FRUCTOSE 1_6-BIPHOSPHATE 82651.0000 113686.0000 343798.0000 517990.0000 180765.0000 188622.0000 FUMARIC ACID 1308058.0000 1308409.0000 3893283.0000 4106318.0000 2442038.0000 2488924.0000 FUMARIC ACID_1 144972.0000 36261.0000 GAMMA-LINOLENIC ACID 1504497.0000 3590529.0000 53389837.0000 151997078.0000 423207.0000 GLUCONIC ACID 378327.0000 6081850.0000 3456993.0000 3930964.0000 431422.0000 4047569.0000 GLUCOSAMINATE 22979.0000 GLUCOSAMINE 6-PHOSPHATE 21323.0000 GLUCOSAMINE 6-SULFATE 16058.0000 31005.0000 GLUCURONOLACTONE 48916.0000 36919.0000 165947.0000 72437.0000 GLUTAMIC ACID 5495495.0000 4167786.0000 21381481.0000 22436093.0000 11053407.0000 10616310.0000 GLUTAMINE 3416879.0000 2138883.0000 7552270.0000 8448526.0000 4354881.0000 3754236.0000 GLUTARATE 76576.0000 97397.0000 148711.0000 GLUTATHIONE OXIDIZED 319587.0000 223316.0000 724313.0000 468196.0000 GLUTATHIONE REDUCED 69048.0000 GLYCERIC ACID 37169.0000 11245.0000 163734.0000 95235.0000 67867.0000 113058.0000 GLYCEROL PHOSPHATE 1944606.0000 1353257.0000 26490609.0000 25405145.0000 777437.0000 133953.0000 GLYCEROL PHOSPHATE_1 3558443.0000 3134305.0000 52102.0000 GLYCOCHOLATE 1724928.0000 7465739.0000 6467595.0000 1263712.0000 3239120.0000 26604368.0000 GLYCOCHOLATE_1 292138.0000 GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*) 1523299.0000 1510351.0000 1811914.0000 GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)_1 8769494.0000 5787672.0000 9031325.0000 4539173.0000 11960508.0000 45748884.0000 GLYCOLITHOCHOLIC ACID ETHYL ESTER 21544.0000 30853.0000 GLYCOLITHOCHOLIC ACID ETHYL ESTER_1 78957.0000 GLYOXYLATE 63839.0000 44387.0000 223202.0000 168947.0000 119965.0000 172143.0000 GUANIDINOACETATE 385252.0000 437650.0000 GUANOSINE 1095664.0000 766798.0000 8274036.0000 10839911.0000 1482151.0000 2047643.0000 GUANOSINE_1 419457.0000 29088.0000 28382.0000 GUANOSINE 3`_5`-CYCLIC MONOPHOSPHATE 53139.0000 GUANOSINE 5`-DIPHOSPHATE 32961.0000 30562.0000 GUANOSINE 5`-DIPHOSPHO-D-MANNOSE 43560.0000 33767.0000 GUANOSINE 5`-DIPHOSPHOGLUCOSE 27123.0000 GUANOSINE 5` MONOPHOSPHATE 20973.0000 23925.0000 719948.0000 1481788.0000 250408.0000 48657.0000 GUANOSINE 5`-TRIPHOSPHATE 36384.0000 11102.0000 GULONIC ACID 59238.0000 74851.0000 59383.0000 55121.0000 28827.0000 HEPTADECANOATE 658393.0000 956432.0000 33033555.0000 54324955.0000 1260148.0000 439769.0000 HEPTADECENOATE (*) 147753.0000 729256.0000 18997626.0000 19321848.0000 272095.0000 169421.0000 HEPTANOIC ACID 107288.0000 122101.0000 105229.0000 124350.0000 19096.0000 156572.0000 HEXACOSANOIC ACID 46790.0000 39359.0000 46386.0000 HEXADECANEDIOATE (*) 166126.0000 963642.0000 HEXANOATE 179861.0000 182071.0000 294023.0000 275799.0000 157031.0000 276494.0000 HEXITOL 824766.0000 26635467.0000 25710545.0000 583022.0000 HEXOSE 15587483.0000 17478611.0000 7440903.0000 8488729.0000 2663947.0000 7792960.0000 HIPPURATE 741570.0000 6213245.0000 1060019.0000 1241211.0000 988278.0000 9601865.0000 HYDROXYACETAMINOPHEN SULFATE (*) 87559.0000 1519850.0000 24365.0000 46427.0000 88334.0000 4254941.0000 HYDROXYACETAMINOPHEN SULFATE (*)_1 87559.0000 1519850.0000 24365.0000 46427.0000 88334.0000 4254941.0000 HYDROXYDECANOATE (*) 207039.0000 174966.0000 181155.0000 293562.0000 365929.0000 HYDROXYDECANOATE (*)_1 207039.0000 174966.0000 181155.0000 293562.0000 365929.0000 HYDROXYISOVALERATE (*) 33288.0000 27692.0000 420535.0000 492447.0000 145235.0000 HYDROXYISOVALERATE (*)_1 33288.0000 27692.0000 420535.0000 492447.0000 145235.0000 HYPOTAURINE 101375.0000 49327.0000 HYPOXANTHINE 3152940.0000 161437.0000 INDICAN 204616.0000 88977.0000 139189.0000 254323.0000 143709.0000 INDOLE-3-ACETAMIDE 24928.0000 INDOLE-3-ACETIC ACID 16327.0000 INOSINE 8537266.0000 4824256.0000 81079924.0000 15573872.0000 22132494.0000 INOSINE_1 496182.0000 98201.0000 12385776.0000 1307028.0000 1977109.0000 INOSINE 5`-DIPHOSPHATE 11292.0000 44512.0000 24064.0000 71151.0000 29615.0000 INOSINE 5`-MONOPHOSPHATE 24254.0000 65800.0000 53261.0000 KYNURENINE 52481.0000 21461.0000 106135.0000 211284.0000 213228.0000 225832.0000 LACTATE 2616721.0000 7873584.0000 2544901.0000 LAURIC ACID 1368022.0000 1508092.0000 9358911.0000 24202643.0000 366838.0000 317792.0000 LEUCENOL 107164.0000 68974.0000 LEUCENOL_1 37657.0000 LEUKOTRIENE A4 (*) 119310.0000 191142.0000 1153819.0000 7327324.0000 189215.0000 LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) 294082.0000 694336.0000 10081992.0000 30969843.0000 1035226.0000 834717.0000 LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)_1 294082.0000 694336.0000 10081992.0000 30969843.0000 1035226.0000 834717.0000 LUMICHROME 37399.0000 662493.0000 997611.0000 LYSINE 40462.0000 570143.0000 416984.0000 302509.0000 620688.0000 73381.0000 MALATE 9533811.0000 9350687.0000 24893897.0000 25763059.0000 18262800.0000 19144486.0000 MALEIMIDE 7507411.0000 6406927.0000 2273203.0000 1810619.0000 8726973.0000 7604847.0000 MALONATE 69419.0000 54269.0000 287507.0000 132013.0000 118530.0000 168615.0000 METHIONINE 1789630.0000 1365848.0000 23788277.0000 18485300.0000 4152076.0000 3818097.0000 METHYL BETA-D-GALACTOSIDE 550491.0000 768754.0000 29207.0000 METHYL INDOLE-3-ACETATE 16666.0000 METHYLMALONATE 308909.0000 139004.0000 306477.0000 347354.0000 195174.0000 203426.0000 MONO-METHYL GLUTARATE 63386.0000 MYO-INOSITOL 4215725.0000 2601947.0000 7844536.0000 9178175.0000 2532265.0000 4920984.0000 MYO-INOSITOL_1 43454.0000 145638.0000 56918.0000 MYO-INOSITOL_2 43425.0000 145629.0000 56877.0000 MYO-INOSITOL_3 4207432.0000 2601947.0000 7811624.0000 9178175.0000 2532265.0000 4924469.0000 MYRISTIC ACID 1622562.0000 5597518.0000 84844256.0000 274669344.0000 873981.0000 410562.0000 MYRISTOLEIC ACID 413776.0000 1966442.0000 13295080.0000 41923161.0000 223813.0000 246398.0000 N2-SUCCINYL-L-GLUTAMATE (*) 135110.0000 86565.0000 771057.0000 414891.0000 N-ACETYL-D-GALACTOSAMINE 668999.0000 447776.0000 2387841.0000 1167394.0000 N-ACETYL-D-HEXOSAMINE 589299.0000 611838.0000 2267039.0000 5197198.0000 N-ACETYL-DL-GLUTAMIC ACID 264860.0000 N-ACETYL-DL-METHIONINE 55641303.0000 N-ACETYL-DL-METHIONINE_1 469176.0000 N-ACETYL-D-TRYPTOPHAN 40129.0000 42520.0000 885295.0000 469307.0000 53943.0000 107006.0000 N-ACETYLGLYCINE 368143.0000 372908.0000 236767.0000 208112.0000 N-ACETYL-L-ASPARTIC ACID 617146.0000 1157630.0000 6585100.0000 6680516.0000 1414533.0000 2155807.0000 N-ACETYL-L-CYSTEINE 85609.0000 47260.0000 1039304.0000 1114434.0000 225561.0000 214685.0000 N-ACETYL-L-LEUCINE 64852.0000 59415.0000 31673.0000 36190.0000 85603.0000 60017.0000 N-ACETYL-L-PHENYLALANINE 98326.0000 57868.0000 156998.0000 112600.0000 159777.0000 29033.0000 N-ACETYLNEURAMINATE 633163.0000 684343.0000 536255.0000 570545.0000 607514.0000 739793.0000 NADP 186145.0000 20883.0000 N-ALPHA-ACETYL-L-ASPARAGINE 167089.0000 N-ALPHA-ACETYL-L-LYSINE 20858.0000 28989.0000 30690.0000 30295.0000 50146.0000 N-BENZYLOXYCARBONYLGLYCINE 23436.0000 61163.0000 N-BENZYLOXYCARBONYLGLYCINE_1 151863.0000 11138.0000 102142.0000 428008.0000 N-BENZYLOXYCARBONYLGLYCINE_2 49542.0000 39093.0000 21402.0000 N-BOC-D-GLUCOSAMINE 33856.0000 78301.0000 N-CYCLOHEXYLSULFAMIC ACID 19101.0000 N-CYCLOHEXYLSULFAMIC ACID_1 19101.0000 N-ETHYLMALEIMIDE 55332.0000 32663.0000 218813.0000 312978.0000 59212.0000 76656.0000 NICOTINAMIDE 105530.0000 2891997.0000 3684581.0000 365389.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE 22654.0000 5044796.0000 5831292.0000 53179.0000 334145.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE_1 94551.0000 160588.0000 26483405.0000 29751385.0000 246742.0000 1707922.0000 N-METHYLTRYPTAMINE 85126.0000 N_N`-DIACETYL-CYSTINE 27410.0000 2129069.0000 2370632.0000 141168.0000 N-OLEOYLGLYCINE 1621807.0000 815240.0000 NONADECANOATE / METHYLSTEARATE (*) 104386.0000 2166696.0000 6271879.0000 306420.0000 NONADECENOATE (*) 126023.0000 334036.0000 11074988.0000 9813210.0000 323495.0000 130602.0000 NONANOATE 1414281.0000 1634620.0000 1338580.0000 1430392.0000 1043182.0000 1741954.0000 N(PAI)-METHYL-L-HISTIDINE 57748.0000 82070.0000 N(PAI)-METHYL-L-HISTIDINE (*) 87027.0000 81768.0000 O-ACETYL-L-CARNITINE 16436.0000 24585.0000 O-ACETYL-L-SERINE 167076.0000 81001.0000 OCTADECANEDIOATE (*) 323985.0000 578600.0000 1262069.0000 378033.0000 368050.0000 OCTADECANEDIOATE (*)_1 323985.0000 578600.0000 1262069.0000 378033.0000 368050.0000 OLEATE 103503.0000 15300.0000 39357.0000 28036.0000 OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) 466915.0000 1566899.0000 186732523.0000 406328874.0000 3816442.0000 7746978.0000 OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)_1 466915.0000 1566899.0000 186732523.0000 406328874.0000 3816442.0000 7746978.0000 O-PHOSPHO-DL-SERINE 647272.0000 709445.0000 41487.0000 O-PHOSPHO-L-SERINE 233051.0000 O-PHOSPHONOHEXOPYRANOSE 731534.0000 622848.0000 799656.0000 866350.0000 3223503.0000 2182075.0000 O-PHOSPHONOHEXOPYRANOSE_1 11451.0000 130375.0000 OPHTHALMIC ACID 174686.0000 119113.0000 1411979.0000 1267587.0000 243224.0000 640815.0000 ORNITHINE 60424.0000 46525.0000 125999.0000 51703.0000 OROTATE 39495.0000 16614.0000 364050.0000 OROTIDINE 5`-MONOPHOSPHATE 40892.0000 123501.0000 O-SUCCINYL-L-HOMOSERINE 33931.0000 218679.0000 333974.0000 OXALATE 150874.0000 113430.0000 396623.0000 307779.0000 205338.0000 208636.0000 OXALOMALIC ACID 254550.0000 66060.0000 222230.0000 255147.0000 464440.0000 952816.0000 OXALOSUCCINATE (*) 61159.0000 OXOMALONATE 24248.0000 645367.0000 170541.0000 323775.0000 405605.0000 P-ACETAMIDOPHENYLGLUCURONIDE (*) 172101.0000 2577197.0000 26146.0000 156977.0000 6385320.0000 P-ACETAMIDOPHENYLGLUCURONIDE (*)_1 172101.0000 2577197.0000 26146.0000 156977.0000 6385320.0000 PALMITATE 38632.0000 26605.0000 PALMITOLEATE (*) 1945910.0000 16078380.0000 308074964.0000 494124063.0000 86635.0000 1124417.0000 PALMITOLEIC ACID 1936993.0000 16140686.0000 308076620.0000 495046424.0000 1056878.0000 1098919.0000 PALMITOLEIC ACID_1 56715.0000 PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*) 3778245.0000 1516519.0000 148063157.0000 178976555.0000 3900971.0000 6843082.0000 PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*)_1 3778245.0000 1516519.0000 148063157.0000 178976555.0000 3900971.0000 6843082.0000 PALMITOYLGLYCEROPHOSPHOINOSITOL (*) 161874.0000 775284.0000 70021668.0000 327710494.0000 1332444.0000 737422.0000 PALMITOYLGLYCEROPHOSPHOINOSITOL (*)_1 161874.0000 775284.0000 70021668.0000 327710494.0000 1332444.0000 737422.0000 PANTOTHENIC ACID 675518.0000 1169933.0000 48724270.0000 53986693.0000 2191822.0000 7578319.0000 PANTOTHENIC ACID_1 1108778.0000 1250374.0000 PANTOTHENIC ACID_2 673244.0000 1167839.0000 48736840.0000 54004137.0000 2190107.0000 7578173.0000 PARAOXON-METHYL 119016.0000 169454.0000 PENTITOL 2142813.0000 2029923.0000 137123.0000 190705.0000 2051174.0000 1384755.0000 PETROSELINIC ACID 103053.0000 90123.0000 PHENYLACETALDEHYDE 22543.0000 88023.0000 12474.0000 PHENYLACETATE (*) 400207.0000 137944.0000 531516.0000 324095.0000 PHENYLALANINE 6399627.0000 5163356.0000 88800646.0000 74652068.0000 15649759.0000 12612793.0000 PHENYLPYRUVATE 14919.0000 65769.0000 84513.0000 PHOSPHATE 3384421.0000 3674775.0000 135892.0000 PHOSPHATE_1 2439943.0000 PHOSPHOCREATINE 54562.0000 111002.0000 PHOSPHO(ENOL)PYRUVIC ACID 816245.0000 1234652.0000 55436.0000 791970.0000 1601467.0000 PHOSPHO(ENOL)PYRUVIC ACID_1 69531.0000 252735.0000 20907.0000 81474.0000 229962.0000 PHOSPHOETHANOLAMINE 1064287.0000 786880.0000 4217363.0000 4586627.0000 2754753.0000 3419570.0000 PHOSPHOGLYCERIC ACID 606324.0000 806711.0000 215337.0000 222503.0000 1110412.0000 2216340.0000 PHOSPHOGLYCERIC ACID_1 74016.0000 276644.0000 PHOSPHONOACETATE 22902.0000 60095.0000 108034.0000 PHTHALATE 71639.0000 35972.0000 40358.0000 PHYTIC ACID 15429.0000 33731.0000 20027.0000 PIMELIC ACID 178612.0000 PREGNENOLONE 766211.0000 PREGN STEROID MONOSULFATE (*) 329679.0000 114924.0000 367898.0000 564026.0000 298055.0000 140403.0000 PROLINE 1017695.0000 850309.0000 3473381.0000 3292995.0000 2450632.0000 2959184.0000 PROSTAGLANDIN B1 (*) 547273.0000 1138149.0000 781830.0000 PROSTAGLANDIN E1 (*) 182938.0000 5381364.0000 7875420.0000 102418.0000 PROSTAGLANDIN E3 (*) 135755.0000 947802.0000 2866040.0000 277528.0000 PROSTAGLANDIN F2 ALPHA (*) 156600.0000 4951588.0000 6876605.0000 PROSTAGLANDIN G2 (*) 1902712.0000 3262371.0000 PROSTAGLANDIN G2 (*)_1 1902712.0000 3262371.0000 PROSTAGLANDIN H2 (*) 43504.0000 358573.0000 204582.0000 PROTOPORPHYRIN 49434.0000 107585.0000 PTERIN 15429.0000 PYRIDINE-2_3-DICARBOXYLATE 25440.0000 318099.0000 15375.0000 22825.0000 449297.0000 976124.0000 PYRIDINE CARBOXYLIC ACID 56711.0000 37518.0000 PYRIDOXAL 17419.0000 PYRIDOXINE 44799.0000 66987.0000 PYRUVATE 313585.0000 275101.0000 341746.0000 442686.0000 448860.0000 501233.0000 PYRUVATE_1 48916.0000 34981.0000 72437.0000 QUINATE 348063.0000 231559.0000 50947.0000 172654.0000 RAC-GLYCEROL 1-MYRISTATE 729479.0000 105130662.0000 130352751.0000 34949.0000 27110.0000 RAFFINOSE 124795.0000 75051.0000 584681.0000 437820.0000 69582.0000 90205.0000 RAFFINOSE_1 13225.0000 RAFFINOSE_2 44031.0000 133594.0000 RAFFINOSE_3 77167.0000 598297.0000 47345.0000 87634.0000 RETINOATE 202750.0000 70646.0000 41876.0000 136650.0000 114646.0000 RIBITOL 20966444.0000 3637873.0000 702636.0000 105598246.0000 102330450.0000 RIBOSE 5-PHOSPHATE 521145.0000 359791.0000 423480.0000 412371.0000 1303600.0000 951562.0000 RIBOSE 5-PHOSPHATE_1 10931.0000 295168.0000 60467.0000 RIBULOSE 1_5-BISPHOSPHATE 17615.0000 RIBULOSE 1_5-BISPHOSPHATE_1 11715.0000 S-ADENOSYL-L-HOMOCYSTEINE 1008768.0000 583783.0000 4611626.0000 5391771.0000 4232498.0000 4567374.0000 SALICYLAMIDE 24559.0000 SALICYLIC ACID 956338.0000 943381.0000 SALICYLIC ACID (*) 956594.0000 944977.0000 SALICYLURIC GLUCURONIDE (*) 180709.0000 174008.0000 265687.0000 407487.0000 SALICYLURIC GLUCURONIDE (*)_1 180709.0000 174008.0000 265687.0000 407487.0000 S-CARBOXYMETHYL-L-CYSTEINE 126258.0000 228989.0000 110961.0000 318629.0000 707442.0000 (S)-DIHYDROOROTATE 48019.0000 74200.0000 SELENOMETHIONINE 325333.0000 14012.0000 230726.0000 940905.0000 SERINE 142482.0000 164355.0000 1017198.0000 880842.0000 228884.0000 234832.0000 S-HEXYL-GLUTATHIONE 16514.0000 21406.0000 SHIKIMATE 241994.0000 (S)-LACTATE 1217030.0000 905004.0000 4025552.0000 6161015.0000 2123818.0000 3471426.0000 SN-GLYCERO-3-PHOSPHOCHOLINE 547851.0000 651522.0000 3355693.0000 3968671.0000 SN-GLYCERO-3-PHOSPHOCHOLINE_1 1327253.0000 525033.0000 43736.0000 SPHINGANINE 23251.0000 STACHYOSE 58659.0000 298688.0000 834031.0000 740857.0000 170080.0000 147986.0000 STEARIDONATE (*) 638815.0000 2867936.0000 21238.0000 STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) 140116.0000 192976.0000 22073020.0000 7902590.0000 STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_1 1019045.0000 1998010.0000 364431201.0000 919467163.0000 7609902.0000 17258686.0000 STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_2 140116.0000 192976.0000 22073020.0000 7902590.0000 STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_3 1019045.0000 1998010.0000 364431201.0000 919467163.0000 7609902.0000 17258686.0000 SUBERIC ACID 57018.0000 SUCCINATE 1916040.0000 693180.0000 1968839.0000 2265817.0000 1021916.0000 1300650.0000 TARTARIC ACID 34152.0000 79728.0000 TAURINE 5829587.0000 6306594.0000 4725661.0000 4927887.0000 13551699.0000 24134246.0000 TAURINE_1 79225.0000 281820.0000 TAUROCHENODEOXYCHOLATE (*) 4272003.0000 932535.0000 4880854.0000 2104529.0000 6870857.0000 7890169.0000 TAUROCHOLATE (*) 1832595.0000 1906770.0000 5070757.0000 752131.0000 3251355.0000 7556123.0000 TAUROLITHOCHOLATE 46267.0000 37161.0000 TESTOSTERONE 186768.0000 TETRAHYDROFOLATE 24911.0000 76499.0000 28368.0000 THIAMINE 59076.0000 909183.0000 733381.0000 143436.0000 139852.0000 THIAMINE MONOPHOSPHATE 21132.0000 THIAMINE PYROPHOSPHATE 273762.0000 20952.0000 THREONATE (*) 319441.0000 636496.0000 857059.0000 633448.0000 THREONATE (*)_1 12454556.0000 13690821.0000 68097277.0000 72867347.0000 27714026.0000 32497737.0000 THYMIDINE 31767.0000 39402.0000 52893.0000 THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSE 18644.0000 33519.0000 THYMIDINE 5`-MONOPHOSPHATE 14656.0000 THYMINE 12808.0000 THYROTROPIN RELEASING HORMONE 106581.0000 1704804.0000 2090167.0000 33100.0000 THYROXINE 29066.0000 TRICOSANOIC ACID 152287.0000 206234.0000 47262.0000 TRIDECANOIC ACID 114695.0000 166384.0000 427649.0000 1430647.0000 93451.0000 50731.0000 TRYPTOPHAN (*) 8815639.0000 11362132.0000 TRYPTOPHAN (*)_1 1490263.0000 2380052.0000 196167338.0000 233546615.0000 3580126.0000 5390780.0000 TRYPTOPHANAMIDE 169289.0000 180279.0000 186260.0000 URACIL 678537.0000 364163.0000 5168536.0000 4959742.0000 2756036.0000 2260299.0000 URATE 2329062.0000 3316024.0000 3253696.0000 3302346.0000 2329405.0000 5042258.0000 URATE_1 65020.0000 83614.0000 URIDINE 4617259.0000 3755722.0000 21905338.0000 22925437.0000 5678811.0000 9556813.0000 URIDINE_1 1866972.0000 1228854.0000 3585902.0000 3882556.0000 2150836.0000 3152912.0000 URIDINE_2 8697709.0000 7852394.0000 22728879.0000 26972539.0000 9618649.0000 21418146.0000 URIDINE_3 3885446.0000 3295300.0000 24139254.0000 19912013.0000 4520468.0000 9295219.0000 URIDINE_4 4534190.0000 3789638.0000 21906605.0000 22884650.0000 5665861.0000 9637866.0000 URIDINE 5`-DIPHOSPHATE 168328.0000 194279.0000 URIDINE 5`-DIPHOSPHATE_1 141724.0000 15209.0000 URIDINE 5`-DIPHOSPHOGLUCOSE 27055.0000 189364.0000 173277.0000 37373.0000 URIDINE 5`-DIPHOSPHOGLUCURONIC ACID 21228.0000 URIDINE 5`-DIPHOSPHOGLUCURONIC ACID_1 15470.0000 33529.0000 276543.0000 386437.0000 99517.0000 92538.0000 URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE 138111.0000 2261265.0000 2459660.0000 107172.0000 263456.0000 URIDINE-5-MONOPHOSPHATE 20482.0000 30885.0000 443116.0000 417788.0000 352976.0000 128350.0000 URIDINE-5-MONOPHOSPHATE_1 22257.0000 URIDINE 5`-TRIPHOSPHATE 21360.0000 UROCANATE 215242.0000 3109083.0000 3139704.0000 XANTHINE 11222019.0000 8755332.0000 31953977.0000 28969959.0000 20243344.0000 13173355.0000 XANTHINE_1 11242730.0000 8851661.0000 32321533.0000 29088055.0000 20242008.0000 13299249.0000 XANTHOSINE 31835.0000 14755.0000 436287.0000 401869.0000 345219.0000 665136.0000 XANTHOSINE 5`-MONOPHOSPHATE 30601.0000 196291.0000 260059.0000 61946.0000 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 14759 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE 56448 48296 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_2 169530 2,3-DIPHOSPHO-D-GLYCERIC ACID 18411 2,6-DIHYDROXYPYRIDINE 23564 37759 2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXYINDOLE (*) 1295968 1231182 70365 2-HYDROXYGLUTARATE (*) 792327 100199 263364 881627 2`,4`-DIHYDROXYACETOPHENONE 107412 96498 21486 84756 78136 174095 2`-DEOXYURIDINE 5`-MONOPHOSPHATE 12220 17666 3,4-DIHYDROXYBENZOATE 58791 26140 3,4-DIHYDROXYPHENYL GLYCOL 36038 170587 68012 184225 3,4-DIHYDROXYPHENYLACETATE 245158 290034 3ALPHA,7ALPHA,12ALPHA,26-TETRAHYDROXY-5BETA-CHOLESTANE (*) 21640 4-(2-AMINO-3-HYDROXYPHENYL)-2,4-DIOXOBUTANOATE (*) 25878 152655 4-(2-AMINOPHENYL)-2,4-DIOXOBUTANOATE (*) 133916 135303 209742 180224 178659 335192 5,6-DIHYDROURACIL 10762912 10122031 6429262 5406440 13564475 14667490 9(10)-EPOME (*) 282066 243980 4351893 14860184 558870 268017 ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE 140326 135820 32637 22340 BOC-ASP-OH 25457991 20361092 13607752 8740018 30992058 27244733 CINNAVALININATE (*) 51383 CIS-7,10,13,16-DOCOSATETRAENOIC ACID 5588602 6530482 142159140 345628540 10301529 8530918 DOPAMINE 3-O-SULFATE (*) 119774 243286 11111857 11297132 146222 734577 FRUCTOSE 1,6-BIPHOSPHATE 82651 113686 343798 517990 180765 188622 GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE 53139 LACTOYLGLUTATHIONE (*) 35053 74791 20853 85626 N,N`-DIACETYL-CYSTINE 27410 2129069 2370632 141168 N-ACETYL-D-GALACTOSAMINE 668999 447776 2387841 1167394 PALMITOLEIC ACID (*) 1945910 16078380 308074964 494124063 86635 1124417 PYRIDINE-2,3-DICARBOXYLATE 25440 318099 15375 22825 449297 976124 RIBULOSE 1,5-BISPHOSPHATE 17615 RIBULOSE 1,5-BISPHOSPHATE_2 11715 SPHINGOSINE 1-PHOSPHATE (*) 351638 110948 43738 URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE 138111 2261265 2459660 107172 263456 UROCORTISONE (*) 80682 46385 1215707 1554810 165027 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE 94141 C05284 771170 UM_Target_ID 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_2 94141 C05284 771312 UM_Target_ID 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 16219892 CA1375 770829 UM_Target_ID 13(S)-HPODE (*) 1426 C04717 817617 UM_Target_ID 15(S)-HETE (*) 5280724 C04742 779755 UM_Target_ID 17ALPHA-HYDROXYPROGESTERONE 6238 C01176 771348 UM_Target_ID 17BETA-HYDROXYANDROSTAN-3-ONE 10635 C03917 771261 UM_Target_ID 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 535 C01234 770863 UM_Target_ID 1-HYDROXY-2-NAPHTHOATE 6844 C03203 771322 UM_Target_ID 1-METHYLADENOSINE 27476 C02494 771298 UM_Target_ID 1-OLEOYL-RAC-GLYCEROL 5283468 CA1373 771324 UM_Target_ID 2,3-DIPHOSPHO-D-GLYCERIC ACID 186004 C01159 771234 UM_Target_ID 2`,4`-DIHYDROXYACETOPHENONE 6990 C03663 770951 UM_Target_ID 2,6-DIHYDROXYPYRIDINE 69371 C03056 771015 UM_Target_ID (2-AMINOETHYL)PHOSPHONATE 339 C03557 770964 UM_Target_ID 2-AMINOPHENOL 5801 C01987 771016 UM_Target_ID 2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXYINDOLE (*) 161255 C05604 817787 UM_Target_ID 2`-DEOXYADENOSINE 5`-DIPHOSPHATE 188966 C00206 770903 UM_Target_ID 2`-DEOXYADENOSINE 5`-TRIPHOSPHATE 15993 C00131 771434 UM_Target_ID 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE 150855 C00705 771438 UM_Target_ID 2`-DEOXYCYTIDINE 5`-MONOPHOSPHATE 13945 C00239 771215 UM_Target_ID 2`-DEOXYURIDINE 5`-MONOPHOSPHATE 65063 C00365 771047 UM_Target_ID 2`-DEOXYURIDINE 5`-TRIPHOSPHATE 65070 C00460 771193 UM_Target_ID 2-HYDROXYBUTYRIC ACID 11266 C05984 771448 UM_Target_ID 2-HYDROXYPHENYLACETIC ACID 11914 C01983 771159 UM_Target_ID 2-HYDROXYQUINOLINE 6038 C06338 770836 UM_Target_ID 2-HYDROXYSTEARATE (*) 439887 C03045 774239 UM_Target_ID 2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE (*) 21145142 C06054 817876 UM_Target_ID 2-OXOADIPATE 71 C00322 770840 UM_Target_ID 3-(2-HYDROXYPHENYL)PROPANOATE 873 C01198 771187 UM_Target_ID 3,4-DIHYDROXYBENZOATE 72 C00230 771130 UM_Target_ID 3,4-DIHYDROXYPHENYLACETATE 547 C01161 771014 UM_Target_ID 3,4-DIHYDROXYPHENYL GLYCOL CA1222 771397 UM_Target_ID 3-(4-HYDROXYPHENYL)LACTATE 9378 C03672 771251 UM_Target_ID 3ALPHA,7ALPHA,12ALPHA,26-TETRAHYDROXY-5BETA-CHOLESTANE (*) 193321 C05446 817438 UM_Target_ID 3ALPHA-HYDROXY-5BETA-CHOLANATE 9903 C03990 771335 UM_Target_ID 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE K25403 777097 UM_Target_ID 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_2 K25632 777326 UM_Target_ID 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_3 M05356 802934 UM_Target_ID 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE_4 M05356 802936 UM_Target_ID 3-DEHYDROSHIKIMATE 439774 C02637 771301 UM_Target_ID 3-HYDROXY-3-METHYLGLUTARATE 1662 C03761 771291 UM_Target_ID 3-HYDROXYBENZALDEHYDE 101 C03067 771227 UM_Target_ID 3-METHOXY-L-TYROSINE 9307 CA1364 771360 UM_Target_ID 3-METHYL-2-OXINDOLE 150923 CA1325 770954 UM_Target_ID 3-METHYL-2-OXOBUTANOIC ACID (*) 71310261 C00141 818454 UM_Target_ID 3-METHYL-2-OXOVALERIC ACID 47 C03465 759911 UM_Target_ID 3-METHYL-2-OXOVALERIC ACID_2 47 C03465 771203 UM_Target_ID 3-METHYLADENINE 1673 C00913 770955 UM_Target_ID 3-NITRO-L-TYROSINE 235719 CA1195 771505 UM_Target_ID 3-NITROPROPANOATE 1678 C05669 770854 UM_Target_ID 3-SULFINO-L-ALANINE 439270 C00606 771272 UM_Target_ID 4-(2-AMINOPHENYL)-2,4-DIOXOBUTANOATE (*) 472 C01252 768888 UM_Target_ID 4-ACETAMIDOBUTANOATE 18189 C02946 771288 UM_Target_ID 4-AMINOBENZOATE 978 C00568 771019 UM_Target_ID 4-COUMARATE 637542 C00811 770966 UM_Target_ID 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID 3845 C01717 770895 UM_Target_ID 4-HYDROXY-3-METHOXY-BENZENEMETHANOL 62348 C06317 770920 UM_Target_ID 4-HYDROXY-3-METHOXYMANDELIC ACID 736172 C05584 771244 UM_Target_ID 4-HYDROXY-3-METHOXYPHENYLGLYCOL 10805 CA1410 771246 UM_Target_ID 4-HYDROXYBENZALDEHYDE 126 C00633 771186 UM_Target_ID 4-HYDROXY-L-PHENYLGLYCINE 36143 CA1445 771430 UM_Target_ID 4-METHYL-2-OXO-PENTANOIC ACID 70 C00233 771150 UM_Target_ID 4-METHYL-2-OXO-PENTANOIC ACID_2 70 C00233 817131 UM_Target_ID 4-METHYL-2-OXOVALERIC ACID 70 C00233 770876 UM_Target_ID 4-NITROPHENOL 980 C00870 770849 UM_Target_ID 4-PYRIDOXATE 6723 C00847 771274 UM_Target_ID 4-VINYLPHENOL SULFATE (*) 62453 C05627 776310 UM_Target_ID 5,6-DIHYDROURACIL 649 C00429 770887 UM_Target_ID 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE 200 CA1116 771339 UM_Target_ID 5-AMINOLEVULINIC ACID 137 C00430 771046 UM_Target_ID 5-HYDROXYINDOLE-3-ACETIC ACID 1826 C05635 818489 UM_Target_ID 5-HYDROXY-L-TRYPTOPHAN 439280 C00643 770995 UM_Target_ID 5-HYDROXY-L-TRYPTOPHAN_2 439280 C00643 771389 UM_Target_ID 5-HYDROXYMETHYLURACIL 78168 C03088 771296 UM_Target_ID 5`-METHYLTHIOADENOSINE 439176 C00170 771179 UM_Target_ID 5-OXO-PROLINE 7405 C01879 771283 UM_Target_ID 5-PHOSPHO-ALPHA-D-RIBOSE 7339 C00119 771240 UM_Target_ID 6-HYDROXYNICOTINATE 72924 C01020 771354 UM_Target_ID 6-PHOSPHOGLUCONIC ACID 91493 C00345 771057 UM_Target_ID 6-PHOSPHOGLUCONIC ACID_2 91493 C00345 771172 UM_Target_ID 7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*) 53481411 C17337 773862 UM_Target_ID ACETYLENEDICARBOXYLATE 371 C03248 770935 UM_Target_ID ACETYLENEDICARBOXYLATE_2 371 C03248 770936 UM_Target_ID ACONITATE (*) 643757 C00417 773244 UM_Target_ID ADENINE 190 C00147 771030 UM_Target_ID ADENINE_2 190 C00147 771341 UM_Target_ID ADENOSINE 60961 C00212 771087 UM_Target_ID ADENOSINE_2 60961 C00212 771383 UM_Target_ID ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE 6076 C00575 771006 UM_Target_ID ADENOSINE 5`-DIPHOSPHATE 6022 C00008 771425 UM_Target_ID ADENOSINE-5`-DIPHOSPHOGLUCOSE 16500 C00498 771044 UM_Target_ID ADENOSINE-5`-DIPHOSPHOGLUCOSE_2 16500 C00498 771073 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE 6083 C00020 770906 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE_2 6083 C00020 770942 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE_3 6083 C00020 771084 UM_Target_ID ADENOSINE 5`-TRIPHOSPHATE 5957 C00002 771145 UM_Target_ID ADENOSINE 5`-TRIPHOSPHATE_2 5957 C00002 771359 UM_Target_ID ADIPIC ACID 196 CA1042 770838 UM_Target_ID ADP-RIBOSE 192 C00301 771390 UM_Target_ID ALDOSTERONE 5839 C01780 770869 UM_Target_ID ALLANTOIN 204 C01551 771280 UM_Target_ID ALPHA-KETO-GLUTARATE 51 C00026 770937 UM_Target_ID ALPHA-TOCOPHEROL (*) 14985 C02477 773439 UM_Target_ID AMINOBUTANOIC ACID 119 CA1498 771460 UM_Target_ID AMINOHYDROXYBUTANOIC ACID CA1508 771453 UM_Target_ID AMINOPENTANOIC ACID CA1501 771406 UM_Target_ID AMINOPROPIONIC ACID / SARCOSINE CA1506 770884 UM_Target_ID ANANDAMIDE 5281969 C11695 770986 UM_Target_ID ANANDAMIDE_2 5281969 C11695 770987 UM_Target_ID ANDROSTERONE GLUCURONIDE (*) 443078 C11135 817660 UM_Target_ID ANDROSTERONE GLUCURONIDE (*)_2 443078 C11135 817661 UM_Target_ID ANDROSTERONE SULFATE (*) 10634 C04295 817232 UM_Target_ID ANDROSTERONE SULFATE (*)_2 10634 C04295 817233 UM_Target_ID ANILINE-2-SULFONIC ACID 6926 CA1341 771379 UM_Target_ID ARACHIDIC ACID 10467 C06425 771112 UM_Target_ID ARACHIDONATE 444899 C00219 760593 UM_Target_ID ARACHIDONATE_2 444899 C00219 771238 UM_Target_ID ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*) K22267 773961 UM_Target_ID ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)_2 M05344 802921 UM_Target_ID ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*) K24042 775736 UM_Target_ID ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)_2 M05350 802927 UM_Target_ID ARGININE 232 C02385 770820 UM_Target_ID ASPARAGINE 236 C16438 771120 UM_Target_ID ASPARTATE 424 C16433 771119 UM_Target_ID AZELAIC ACID 2266 C08261 771243 UM_Target_ID B-ALANYL-N(PAI)-METHYL-L-HISTIDINE 112072 C01262 771080 UM_Target_ID BENZOATE 243 C00180 770974 UM_Target_ID BENZOIN 8400 C01408 771317 UM_Target_ID BILIVERDIN 5280353 C00500 771079 UM_Target_ID BIOTIN 171548 C00120 770864 UM_Target_ID BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH CA1419 771043 UM_Target_ID BOC-ALA-OH 85082 CA1333 771427 UM_Target_ID BOC-ASN 82035 BOCASN 771175 UM_Target_ID BOC-ASN_2 82035 C01410 771273 UM_Target_ID BOC-HIS-OH 87308 CA1336 770818 UM_Target_ID BOC-HIS-OH_2 87308 U05453 771433 UM_Target_ID BOC-MET-OH 111051 CA1332 771122 UM_Target_ID BOC-PHE-OH 77857 CA1334 771306 UM_Target_ID BOC-PRO-OH 85083 CA1335 771431 UM_Target_ID BOC-SER-OH 98766 CA1423 771133 UM_Target_ID BOC-SER-OH_2 98766 CA1423 771361 UM_Target_ID [C13] METHIONINE 876 C01733 771199 UM_Target_ID [C13] PHENYLALANINE 994 C02057 771201 UM_Target_ID [C13] TYROSINE 1153 C01536 771200 UM_Target_ID [C13] VALINE 247 C00719 771176 UM_Target_ID CAPRYLIC ACID 379 C06423 771091 UM_Target_ID CARNOSINE 439224 C00386 771221 UM_Target_ID CHENODEOXYCHOLATE 10133 C02528 771089 UM_Target_ID CHOLATE 221493 C00695 770971 UM_Target_ID CHOLESTEROL (*) 5997 C00187 778148 UM_Target_ID CHOLESTEROL SULFATE 65076 CA1523 771353 UM_Target_ID CHOLESTEROL SULFATE_2 65076 CA1523 818447 UM_Target_ID CHOLINE PHOSPHATE 1014 C00588 770985 UM_Target_ID CINNAMIC ACID 5372954 C10438 771036 UM_Target_ID CINNAMOYLGLYCINE (*) 709625 K24551 776245 UM_Target_ID CINNAMOYLGLYCINE (*)_2 709625 M00022 802931 UM_Target_ID CIS-7,10,13,16-DOCOSATETRAENOIC ACID 5497181 CA1260 771151 UM_Target_ID CITRATE 311 C00158 771156 UM_Target_ID CITRULLINE 9750 C00327 817500 UM_Target_ID CORTICOSTERONE 5753 C02140 771309 UM_Target_ID CORTISOL 5754 C00735 770892 UM_Target_ID CORTISOL 21-ACETATE 5744 C02821 770874 UM_Target_ID CORTISOL 21-ACETATE_2 5744 C02821 771222 UM_Target_ID CORTISONE 222786 C00762 771039 UM_Target_ID CREATINE 586 C00300 770883 UM_Target_ID CYCLOHEPTANECARBOXYLIC ACID 15091 C12104 771268 UM_Target_ID CYSTATHIONINE 10104953 C00542 771290 UM_Target_ID CYSTEIC ACID 72886 C00506 771346 UM_Target_ID CYSTINE 595 C01420 771404 UM_Target_ID CYTIDINE 6175 C00475 771381 UM_Target_ID CYTIDINE 5`-DIPHOSPHATE 6132 C00112 770904 UM_Target_ID CYTIDINE 5`-DIPHOSPHOCHOLINE 13804 C00307 770826 UM_Target_ID CYTIDINE 5`-DIPHOSPHOCHOLINE_2 13804 C00307 771426 UM_Target_ID CYTIDINE 5`-MONOPHOSPHATE 6131 C00055 770928 UM_Target_ID CYTIDINE 5`-TRIPHOSPHATE 6176 C00063 771386 UM_Target_ID CYTOSINE 597 C00380 771418 UM_Target_ID DECANOATE 2969 C01571 771040 UM_Target_ID DEHYDROISOANDROSTERONE 3-SULFATE 16072213 CA1407 771315 UM_Target_ID DEOXYRIBOSE 9828112 C01801 771373 UM_Target_ID DEOXYURIDINE 13712 C00526 771419 UM_Target_ID DETHIOBIOTIN 445027 C01909 771021 UM_Target_ID D-GALACTOSAMINE 318324 C02262 771435 UM_Target_ID DIETHYL 2-METHYL-3-OXOSUCCINATE 97750 C04067 771320 UM_Target_ID DIHEXOSE CA1495 771456 UM_Target_ID DIHEXOSE_2 CA1495 771466 UM_Target_ID DIHOMO-LINOLEATE (*) 6439848 C16525 773539 UM_Target_ID DIHOMO-LINOLENATE (*) 5280581 C03242 774630 UM_Target_ID DIHYDROXYACETONE PHOSPHATE 668 C00111 770997 UM_Target_ID DIMETHYLURATE (*) 91611 C16356 817721 UM_Target_ID DIMETHYLURATE (*)_2 91611 C16356 818497 UM_Target_ID DIMETHYLXANTHINE 185974 CA1507 817855 UM_Target_ID DOCOSADIENOATE (*) 5312554 C16533 818465 UM_Target_ID DOCOSAPENTAENOATE (*) 5497182 C16513 817965 UM_Target_ID DODECANEDIOATE (*) 12736 C02678 777951 UM_Target_ID DODECENOATE (*) K23296 774990 UM_Target_ID DODECENOATE (*)_2 M05347 802924 UM_Target_ID EDTA 6049 C00284 770857 UM_Target_ID ESTRONE GLUCURONIDE (*) 115255 C11133 817091 UM_Target_ID ETHANOLAMINE PHOSPHATE 1015 C00346 771096 UM_Target_ID FERULATE 445858 C01494 771125 UM_Target_ID FLAVIN ADENINE DINUCLEOTIDE 643975 C00016 771195 UM_Target_ID FOLIC ACID 6037 C00504 771051 UM_Target_ID FORMYLANTHRANILATE (*) 101399 C05653 775206 UM_Target_ID FORMYL-L-METHIONINE 6995182 C03145 771365 UM_Target_ID FRUCTOSE 1,6-BIPHOSPHATE 172313 C00354 771220 UM_Target_ID FUMARIC ACID 444972 C00122 770872 UM_Target_ID FUMARIC ACID_2 444972 C00122 771185 UM_Target_ID GAMMA-LINOLENIC ACID 5280933 C06426 770984 UM_Target_ID GLUCONIC ACID 10690 C00257 771457 UM_Target_ID GLUCOSAMINATE 73563 C03752 771392 UM_Target_ID GLUCOSAMINE 6-PHOSPHATE 439217 C00352 770926 UM_Target_ID GLUCOSAMINE 6-SULFATE 72361 CA1422 771385 UM_Target_ID GLUCURONOLACTONE 439782 C02670 771302 UM_Target_ID GLUTAMIC ACID 611 C00302 771454 UM_Target_ID GLUTAMINE 738 C00303 771400 UM_Target_ID GLUTARATE 743 C00489 770897 UM_Target_ID GLUTATHIONE OXIDIZED 975 C00127 771394 UM_Target_ID GLUTATHIONE REDUCED 124886 C00051 771395 UM_Target_ID GLYCERIC ACID 439194 C00258 771001 UM_Target_ID GLYCEROL PHOSPHATE CA1512 771410 UM_Target_ID GLYCEROL PHOSPHATE_2 CA1512 771464 UM_Target_ID GLYCOCHOLATE 10140 C01921 770870 UM_Target_ID GLYCOCHOLATE_2 10140 C01921 771126 UM_Target_ID GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*) 22833539 C05464 773314 UM_Target_ID GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)_2 22833539 C05464 817313 UM_Target_ID GLYCOLITHOCHOLIC ACID ETHYL ESTER 16219441 CA1349 771325 UM_Target_ID GLYCOLITHOCHOLIC ACID ETHYL ESTER_2 16219441 CA1349 771351 UM_Target_ID GLYOXYLATE 760 C00048 771239 UM_Target_ID GUANIDINOACETATE 763 C00581 770860 UM_Target_ID GUANOSINE 6802 C00387 770886 UM_Target_ID GUANOSINE_2 6802 C00387 771049 UM_Target_ID GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE 24316 C00942 770900 UM_Target_ID GUANOSINE 5`-DIPHOSPHATE 8977 C00035 771004 UM_Target_ID GUANOSINE 5`-DIPHOSPHO-D-MANNOSE 18396 C00096 771396 UM_Target_ID GUANOSINE 5`-DIPHOSPHOGLUCOSE 644106 C00394 771024 UM_Target_ID GUANOSINE 5` MONOPHOSPHATE 6804 C00144 770931 UM_Target_ID GUANOSINE 5`-TRIPHOSPHATE 6830 C00044 771191 UM_Target_ID GULONIC ACID 152304 C00800 771146 UM_Target_ID HEPTADECANOATE 3082004 CA1365 771152 UM_Target_ID HEPTADECENOATE (*) M05360 802939 UM_Target_ID HEPTANOIC ACID 12222843 CA1393 771316 UM_Target_ID HEXACOSANOIC ACID 10469 CA1352 770909 UM_Target_ID HEXADECANEDIOATE (*) 10459 C19615 776926 UM_Target_ID HEXANOATE 8892 C01585 771183 UM_Target_ID HEXITOL 5460044 CA1510 771459 UM_Target_ID HEXOSE 206 C01381 771407 UM_Target_ID HIPPURATE 464 C01586 771188 UM_Target_ID HYDROXYACETAMINOPHEN SULFATE (*) K24525 776219 UM_Target_ID HYDROXYACETAMINOPHEN SULFATE (*)_2 M05353 802930 UM_Target_ID HYDROXYDECANOATE (*) K21895 773589 UM_Target_ID HYDROXYDECANOATE (*)_2 M05343 802920 UM_Target_ID HYDROXYISOVALERATE (*) K23382 775076 UM_Target_ID HYDROXYISOVALERATE (*)_2 M05348 802925 UM_Target_ID HYPOTAURINE 107812 C00519 771417 UM_Target_ID HYPOXANTHINE 790 C00262 771216 UM_Target_ID INDICAN 92769 C08481 771374 UM_Target_ID INDOLE-3-ACETAMIDE 397 C02693 770956 UM_Target_ID INDOLE-3-ACETIC ACID 802 C00954 770917 UM_Target_ID INOSINE 6021 C00294 771132 UM_Target_ID INOSINE_2 6021 C00294 771177 UM_Target_ID INOSINE 5`-DIPHOSPHATE 644173 C00104 770907 UM_Target_ID INOSINE 5`-MONOPHOSPHATE 8582 C00130 771376 UM_Target_ID KYNURENINE 846 C01718 771287 UM_Target_ID LACTATE 612 C01432 817092 UM_Target_ID LAURIC ACID 3893 C02679 771111 UM_Target_ID LEUCENOL 440473 C04771 770962 UM_Target_ID LEUCENOL_2 440473 C04771 771297 UM_Target_ID LEUKOTRIENE A4 (*) 5280383 C00909 769443 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) K24671 776365 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)_2 M05354 802932 UM_Target_ID LUMICHROME 5326566 C01727 771101 UM_Target_ID LYSINE 866 C16440 817600 UM_Target_ID MALATE 525 C00711 771117 UM_Target_ID MALEIMIDE 10935 C07272 770859 UM_Target_ID MALONATE 867 C00383 771421 UM_Target_ID METHIONINE 876 C01733 771102 UM_Target_ID METHYL BETA-D-GALACTOSIDE 94214 C03619 770930 UM_Target_ID METHYL INDOLE-3-ACETATE 74706 CA1231 770841 UM_Target_ID METHYLMALONATE 487 C02170 771184 UM_Target_ID MONO-METHYL GLUTARATE 73917 CA1015 771062 UM_Target_ID MYO-INOSITOL 892 C00137 770833 UM_Target_ID MYO-INOSITOL_2 892 C00137 771405 UM_Target_ID MYO-INOSITOL_3 892 C00137 817126 UM_Target_ID MYO-INOSITOL_4 892 C00137 817127 UM_Target_ID MYRISTIC ACID 11005 C06424 771103 UM_Target_ID MYRISTOLEIC ACID 5281119 C08322 771304 UM_Target_ID N2-SUCCINYL-L-GLUTAMATE (*) 440847 C05931 704609 UM_Target_ID N-ACETYL-D-GALACTOSAMINE 35717 C01132 771007 UM_Target_ID N-ACETYL-D-HEXOSAMINE 439281 C03136 771455 UM_Target_ID N-ACETYL-DL-GLUTAMIC ACID 185 CA1454 771008 UM_Target_ID N-ACETYL-DL-METHIONINE 6180 CA1210 770905 UM_Target_ID N-ACETYL-DL-METHIONINE_2 6180 CA1210 771029 UM_Target_ID N-ACETYL-D-TRYPTOPHAN 439917 C03137 771299 UM_Target_ID N-ACETYLGLYCINE 10972 CA1212 770822 UM_Target_ID N-ACETYL-L-ASPARTIC ACID 65065 CA1200 770908 UM_Target_ID N-ACETYL-L-CYSTEINE 581 CE1310 771470 UM_Target_ID N-ACETYL-L-LEUCINE 70912 C02710 770950 UM_Target_ID N-ACETYL-L-PHENYLALANINE 74839 C03519 770867 UM_Target_ID N-ACETYLNEURAMINATE 439197 C00270 771157 UM_Target_ID NADP 5886 C00006 771140 UM_Target_ID N-ALPHA-ACETYL-L-ASPARAGINE CA1214 770946 UM_Target_ID N-ALPHA-ACETYL-L-LYSINE 192590 CA1219 771198 UM_Target_ID N-BENZYLOXYCARBONYLGLYCINE 14349 C03710 770871 UM_Target_ID N-BENZYLOXYCARBONYLGLYCINE_2 14349 C03710 817900 UM_Target_ID N-BENZYLOXYCARBONYLGLYCINE_3 14349 C03710 817901 UM_Target_ID N-BOC-D-GLUCOSAMINE 4108462 CA1426 771449 UM_Target_ID N-CYCLOHEXYLSULFAMIC ACID 7533 CA1328 802776 UM_Target_ID N-CYCLOHEXYLSULFAMIC ACID_2 7533 CA1328 817129 UM_Target_ID N-ETHYLMALEIMIDE 4362 C02441 771378 UM_Target_ID NICOTINAMIDE 936 C00153 771154 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE 10897651 C00003 771398 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE_2 10897651 C00003 771399 UM_Target_ID N-METHYLTRYPTAMINE 6088 C06213 770889 UM_Target_ID N,N`-DIACETYL-CYSTINE CA1519 771356 UM_Target_ID N-OLEOYLGLYCINE 6436908 CA1254 817817 UM_Target_ID NONADECANOATE / METHYLSTEARATE (*) 12591 C16535 780488 UM_Target_ID NONADECENOATE (*) C00174 775478 UM_Target_ID NONANOATE 8158 C01601 770967 UM_Target_ID N(PAI)-METHYL-L-HISTIDINE 64969 C01152 771281 UM_Target_ID N(PAI)-METHYL-L-HISTIDINE (*) 64969 C01152 817482 UM_Target_ID O-ACETYL-L-CARNITINE 1 C02571 771366 UM_Target_ID O-ACETYL-L-SERINE 189 C00979 771025 UM_Target_ID OCTADECANEDIOATE (*) 70095 K26463 778157 UM_Target_ID OCTADECANEDIOATE (*)_2 70095 M05359 802938 UM_Target_ID OLEATE 445639 C00712 660048 UM_Target_ID OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) K21510 773204 UM_Target_ID OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)_2 M05341 802918 UM_Target_ID O-PHOSPHO-DL-SERINE 106 CA1209 770862 UM_Target_ID O-PHOSPHO-L-SERINE 68841 C01005 771060 UM_Target_ID O-PHOSPHONOHEXOPYRANOSE CA1494 771463 UM_Target_ID O-PHOSPHONOHEXOPYRANOSE_2 CA1494 771465 UM_Target_ID OPHTHALMIC ACID 7018721 CA1475 770972 UM_Target_ID ORNITHINE 71082 C00515 770902 UM_Target_ID OROTATE 967 C00295 771231 UM_Target_ID OROTIDINE 5`-MONOPHOSPHATE 160617 C01103 771230 UM_Target_ID O-SUCCINYL-L-HOMOSERINE 439406 C01118 771279 UM_Target_ID OXALATE 971 C00209 771388 UM_Target_ID OXALOMALIC ACID 439620 C01990 771445 UM_Target_ID OXALOSUCCINATE (*) 972 C05379 817586 UM_Target_ID OXOMALONATE 10132 C00830 771233 UM_Target_ID P-ACETAMIDOPHENYLGLUCURONIDE (*) K23498 775192 UM_Target_ID P-ACETAMIDOPHENYLGLUCURONIDE (*)_2 M05349 802926 UM_Target_ID PALMITATE 985 C00249 817117 UM_Target_ID PALMITOLEATE (*) 445638 C08362 777264 UM_Target_ID PALMITOLEIC ACID 445638 C08362 771313 UM_Target_ID PALMITOLEIC ACID_2 445638 C08362 817119 UM_Target_ID PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*) K22338 774032 UM_Target_ID PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*)_2 M05345 802922 UM_Target_ID PALMITOYLGLYCEROPHOSPHOINOSITOL (*) K25208 776902 UM_Target_ID PALMITOYLGLYCEROPHOSPHOINOSITOL (*)_2 M05355 802933 UM_Target_ID PANTOTHENIC ACID 988 C00864 770992 UM_Target_ID PANTOTHENIC ACID_2 988 C00864 771377 UM_Target_ID PANTOTHENIC ACID_3 988 C00864 817093 UM_Target_ID PARAOXON-METHYL 13708 CA1476 771319 UM_Target_ID PENTITOL 827 CA1511 771408 UM_Target_ID PETROSELINIC ACID 5281125 C08363 660049 UM_Target_ID PHENYLACETALDEHYDE 998 C00601 770910 UM_Target_ID PHENYLACETATE (*) 999 C07086 773812 UM_Target_ID PHENYLALANINE 994 C02057 771115 UM_Target_ID PHENYLPYRUVATE 997 C00166 771323 UM_Target_ID PHOSPHATE 1004 C00009 771069 UM_Target_ID PHOSPHATE_2 1004 C00009 771401 UM_Target_ID PHOSPHOCREATINE 587 C02305 771344 UM_Target_ID PHOSPHO(ENOL)PYRUVIC ACID 1005 C00074 771003 UM_Target_ID PHOSPHO(ENOL)PYRUVIC ACID_2 1005 C00074 771023 UM_Target_ID PHOSPHOETHANOLAMINE 1015 C00346 771005 UM_Target_ID PHOSPHOGLYCERIC ACID CA1497 771461 UM_Target_ID PHOSPHOGLYCERIC ACID_2 CA1497 771462 UM_Target_ID PHOSPHONOACETATE 546 C05682 770923 UM_Target_ID PHTHALATE 1017 C01606 770893 UM_Target_ID PHYTIC ACID 890 C01204 771372 UM_Target_ID PIMELIC ACID 385 C02656 770866 UM_Target_ID PREGNENOLONE 8955 C01953 771265 UM_Target_ID PREGN STEROID MONOSULFATE (*) 105074 C18044 774508 UM_Target_ID PROLINE 614 C16435 771113 UM_Target_ID PROSTAGLANDIN B1 (*) 5280388 C00959 817180 UM_Target_ID PROSTAGLANDIN E1 (*) 5280723 C04741 818019 UM_Target_ID PROSTAGLANDIN E3 (*) 5280937 C06439 818495 UM_Target_ID PROSTAGLANDIN F2 ALPHA (*) 5280363 C00639 769070 UM_Target_ID PROSTAGLANDIN G2 (*) 5280883 C05956 817811 UM_Target_ID PROSTAGLANDIN G2 (*)_2 5280883 C05956 818494 UM_Target_ID PROSTAGLANDIN H2 (*) 445049 C00427 769046 UM_Target_ID PROTOPORPHYRIN 4971 C02191 771328 UM_Target_ID PTERIN 73000 C00715 771241 UM_Target_ID PYRIDINE-2,3-DICARBOXYLATE 1066 C03722 771285 UM_Target_ID PYRIDINE CARBOXYLIC ACID CA1509 771458 UM_Target_ID PYRIDOXAL 1050 C00250 770915 UM_Target_ID PYRIDOXINE 1054 C00314 771411 UM_Target_ID PYRUVATE 1060 C00022 770880 UM_Target_ID PYRUVATE_2 1060 C00022 771065 UM_Target_ID QUINATE 441074 C00296 770830 UM_Target_ID RAC-GLYCEROL 1-MYRISTATE 79050 CA1370 771307 UM_Target_ID RAFFINOSE 439242 C00492 770944 UM_Target_ID RAFFINOSE_2 439242 C00492 771085 UM_Target_ID RAFFINOSE_3 439242 C00492 817124 UM_Target_ID RAFFINOSE_4 439242 C00492 817125 UM_Target_ID RETINOATE 444795 C00777 771042 UM_Target_ID RIBITOL 827 C00474 771093 UM_Target_ID RIBOSE 5-PHOSPHATE 439167 C00117 771252 UM_Target_ID RIBOSE 5-PHOSPHATE_2 439167 C00117 771437 UM_Target_ID RIBULOSE 1,5-BISPHOSPHATE 123658 C01182 771010 UM_Target_ID RIBULOSE 1,5-BISPHOSPHATE_2 123658 C01182 771338 UM_Target_ID S-ADENOSYL-L-HOMOCYSTEINE 439155 C00021 770901 UM_Target_ID SALICYLAMIDE 5147 CA1193 770839 UM_Target_ID SALICYLIC ACID 338 CA1067 771249 UM_Target_ID SALICYLIC ACID (*) 338 C00805 776757 UM_Target_ID SALICYLURIC GLUCURONIDE (*) K24500 776194 UM_Target_ID SALICYLURIC GLUCURONIDE (*)_2 M05352 802929 UM_Target_ID S-CARBOXYMETHYL-L-CYSTEINE 193653 C03727 771380 UM_Target_ID (S)-DIHYDROOROTATE 648 C00337 771420 UM_Target_ID SELENOMETHIONINE 15103 C05335 770858 UM_Target_ID SERINE 617 C00716 771402 UM_Target_ID S-HEXYL-GLUTATHIONE 97536 C02886 770932 UM_Target_ID SHIKIMATE 8742 C00493 771048 UM_Target_ID (S)-LACTATE 107689 C00186 770816 UM_Target_ID SN-GLYCERO-3-PHOSPHOCHOLINE 71920 C00670 771442 UM_Target_ID SN-GLYCERO-3-PHOSPHOCHOLINE_2 71920 C00670 771443 UM_Target_ID SPHINGANINE 91486 C00836 770969 UM_Target_ID STACHYOSE 439531 C01613 771439 UM_Target_ID STEARIDONATE (*) 5282837 C16300 777765 UM_Target_ID STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) K22350 774044 UM_Target_ID STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_2 K24332 776026 UM_Target_ID STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_3 M05346 802923 UM_Target_ID STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)_4 M05351 802928 UM_Target_ID SUBERIC ACID 10457 C08278 770837 UM_Target_ID SUCCINATE 1110 C00042 771114 UM_Target_ID TARTARIC ACID 875 C01534 771300 UM_Target_ID TAURINE 1123 C00245 770834 UM_Target_ID TAURINE_2 1123 C00245 771155 UM_Target_ID TAUROCHENODEOXYCHOLATE (*) 387316 C05465 773826 UM_Target_ID TAUROCHOLATE (*) 6675 C05122 773806 UM_Target_ID TAUROLITHOCHOLATE 439763 C02592 771108 UM_Target_ID TESTOSTERONE 6013 C00535 771110 UM_Target_ID TETRAHYDROFOLATE 5460413 C00101 771210 UM_Target_ID THIAMINE 1130 C00378 770949 UM_Target_ID THIAMINE MONOPHOSPHATE 3382778 C01081 770933 UM_Target_ID THIAMINE PYROPHOSPHATE 1132 C00068 771357 UM_Target_ID THREONATE (*) 151152 C01620 817537 UM_Target_ID THREONATE (*)_2 151152 C01620 817538 UM_Target_ID THYMIDINE 5789 C00214 771180 UM_Target_ID THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSE 443210 C00842 770976 UM_Target_ID THYMIDINE 5`-MONOPHOSPHATE 9700 C00364 771026 UM_Target_ID THYMINE 1135 C00178 771214 UM_Target_ID THYROTROPIN RELEASING HORMONE 638678 C03958 771293 UM_Target_ID THYROXINE 5819 C01829 770970 UM_Target_ID TRICOSANOIC ACID 17085 CA1269 771308 UM_Target_ID TRIDECANOIC ACID 12530 CA1367 771263 UM_Target_ID TRYPTOPHAN (*) 6305 C00078 817833 UM_Target_ID TRYPTOPHAN (*)_2 6305 C00078 817834 UM_Target_ID TRYPTOPHANAMIDE 439356 C00977 770891 UM_Target_ID URACIL 1174 C00106 771100 UM_Target_ID URATE 1175 C00366 771092 UM_Target_ID URATE_2 1175 C00366 771415 UM_Target_ID URIDINE 6029 C00299 770991 UM_Target_ID URIDINE_2 6029 C00299 771217 UM_Target_ID URIDINE_3 6029 C00299 771218 UM_Target_ID URIDINE_4 6029 C00299 771219 UM_Target_ID URIDINE_5 6029 C00299 817102 UM_Target_ID URIDINE 5`-DIPHOSPHATE 6031 C00015 770828 UM_Target_ID URIDINE 5`-DIPHOSPHATE_2 6031 C00015 771429 UM_Target_ID URIDINE 5`-DIPHOSPHOGLUCOSE 53477679 C00029 771192 UM_Target_ID URIDINE 5`-DIPHOSPHOGLUCURONIC ACID 17473 C00167 771056 UM_Target_ID URIDINE 5`-DIPHOSPHOGLUCURONIC ACID_2 17473 C00167 771345 UM_Target_ID URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE 445675 C00043 771343 UM_Target_ID URIDINE-5-MONOPHOSPHATE 6030 C00105 771212 UM_Target_ID URIDINE-5-MONOPHOSPHATE_2 6030 C00105 771213 UM_Target_ID URIDINE 5`-TRIPHOSPHATE 6133 C00075 770948 UM_Target_ID UROCANATE 736715 C00785 771282 UM_Target_ID XANTHINE 1188 C00385 771422 UM_Target_ID XANTHINE_2 1188 C00385 817128 UM_Target_ID XANTHOSINE 64959 C01762 771289 UM_Target_ID XANTHOSINE 5`-MONOPHOSPHATE 73323 C00655 771194 UM_Target_ID 2-HYDROXYGLUTARATE (*) C02630 2`-DEOXYURIDINE 5`-MONOPHOSPHATE C00365 4-(2-AMINO-3-HYDROXYPHENYL)-2,4-DIOXOBUTANOATE (*) C05645 9(10)-EPOME (*) C14825 BOC-ASP-OH CA1350 CINNAVALININATE (*) C05640 DOPAMINE 3-O-SULFATE (*) C13690 LACTOYLGLUTATHIONE (*) C03451 N-ACETYL-D-GALACTOSAMINE C01132 PALMITOLEIC ACID (*) C08362 SPHINGOSINE 1-PHOSPHATE (*) C06124 URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE C00043 UROCORTISONE (*) C05470 METABOLITES_END #END