#METABOLOMICS WORKBENCH ADSL1_20240712_043136 DATATRACK_ID:5005 STUDY_ID:ST003347 ANALYSIS_ID:AN005482 PROJECT_ID:PR002082 VERSION 1 CREATED_ON July 12, 2024, 11:40 am #PROJECT PR:PROJECT_TITLE ADSL deficiency drives mitochondrial dysfunction and ERK2 dysregulation in a PR:PROJECT_TITLE linear genotype to phenotype correlation PR:PROJECT_SUMMARY Adenylosuccinate lyase (ADSL) deficiency (ADSLd) is a rare autosomal recessive PR:PROJECT_SUMMARY defect of purine metabolism associated with a wide range of clinical PR:PROJECT_SUMMARY manifestations. Despite ADSL implication in purine synthesis, no additional PR:PROJECT_SUMMARY molecular alterations have been identified as a cause of ADSLd besides the PR:PROJECT_SUMMARY accumulation of toxic substrates. Here we uncover a novel association between PR:PROJECT_SUMMARY ADSLd and mitochondrial dysfunction, which is characterized by an increase in PR:PROJECT_SUMMARY fragmentation and reduction in respiration and ATP production. The extent of PR:PROJECT_SUMMARY this mitochondrial dysfunction is directly proportional to the pathological PR:PROJECT_SUMMARY manifestations of ADSLd, which are predominantly observed in tissues that rely PR:PROJECT_SUMMARY heavily on mitochondria. Our analysis also unveils a striking defect in PR:PROJECT_SUMMARY mitochondrial dynamics and transport, which are associated with the suppression PR:PROJECT_SUMMARY of ERK2 and AKT function. Remarkably, the mitochondrial phenotype can be rescued PR:PROJECT_SUMMARY in part by overexpression of a constitutive form of ERK2 or through the PR:PROJECT_SUMMARY administration of purine intermediates. This scenario provides an alternative PR:PROJECT_SUMMARY explanation of ADSLd onset, reorienting research towards developing innovative PR:PROJECT_SUMMARY therapeutic strategies based on the restoration of mitochondrial metabolism. PR:INSTITUTE Catholic University of the Sacred Heart PR:LAST_NAME Bordi PR:FIRST_NAME Matteo PR:ADDRESS Largo Francesco Vito 1, Rome, Italy, 00168, Italy PR:EMAIL matteo.bordi@unicatt.it PR:PHONE +390630155135/5258 #STUDY ST:STUDY_TITLE ADSL deficiency drives mitochondrial dysfunction and ERK2 dysregulation in a ST:STUDY_TITLE linear genotype to phenotype correlation ST:STUDY_SUMMARY Adenylosuccinate lyase (ADSL) deficiency (ADSLd) is a rare autosomal recessive ST:STUDY_SUMMARY defect of purine metabolism associated with a wide range of clinical ST:STUDY_SUMMARY manifestations. Despite ADSL implication in purine synthesis, no additional ST:STUDY_SUMMARY molecular alterations have been identified as a cause of ADSLd besides the ST:STUDY_SUMMARY accumulation of toxic substrates. Here we uncover a novel association between ST:STUDY_SUMMARY ADSLd and mitochondrial dysfunction, which is characterized by an increase in ST:STUDY_SUMMARY fragmentation and reduction in respiration and ATP production. The extent of ST:STUDY_SUMMARY this mitochondrial dysfunction is directly proportional to the pathological ST:STUDY_SUMMARY manifestations of ADSLd, which are predominantly observed in tissues that rely ST:STUDY_SUMMARY heavily on mitochondria. Our analysis also unveils a striking defect in ST:STUDY_SUMMARY mitochondrial dynamics and transport, which are associated with the suppression ST:STUDY_SUMMARY of ERK2 and AKT function. Remarkably, the mitochondrial phenotype can be rescued ST:STUDY_SUMMARY in part by overexpression of a constitutive form of ERK2 or through the ST:STUDY_SUMMARY administration of purine intermediates. This scenario provides an alternative ST:STUDY_SUMMARY explanation of ADSLd onset, reorienting research towards developing innovative ST:STUDY_SUMMARY therapeutic strategies based on the restoration of mitochondrial metabolism. ST:INSTITUTE Catholic University of the Sacred Heart ST:LAST_NAME Bordi ST:FIRST_NAME Matteo ST:ADDRESS Largo Francesco Vito 1, Rome, Italy, 00168, Italy ST:EMAIL matteo.bordi@unicatt.it ST:PHONE +390630155135/5258 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - BT02-001 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=11 yr; RAW_FILE_NAME(Raw file name)=BT02-001.raw SUBJECT_SAMPLE_FACTORS - BT02-002 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=11 yr; RAW_FILE_NAME(Raw file name)=BT02-002.raw SUBJECT_SAMPLE_FACTORS - BT02-003 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=11 yr; RAW_FILE_NAME(Raw file name)=BT02-003.raw SUBJECT_SAMPLE_FACTORS - BT02-004 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=11 yr; RAW_FILE_NAME(Raw file name)=BT02-004.raw SUBJECT_SAMPLE_FACTORS - BT02-005 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=11 yr; RAW_FILE_NAME(Raw file name)=BT02-005.raw SUBJECT_SAMPLE_FACTORS - BT02-006 Sample source:Skin | Genotype:Wildtype | Sex:F Phenotype=Control; Age=13 yr; RAW_FILE_NAME(Raw file name)=BT02-006.raw SUBJECT_SAMPLE_FACTORS - BT02-007 Sample source:Skin | Genotype:Wildtype | Sex:F Phenotype=Control; Age=13 yr; RAW_FILE_NAME(Raw file name)=BT02-007.raw SUBJECT_SAMPLE_FACTORS - BT02-008 Sample source:Skin | Genotype:Wildtype | Sex:F Phenotype=Control; Age=13 yr; RAW_FILE_NAME(Raw file name)=BT02-008.raw SUBJECT_SAMPLE_FACTORS - BT02-009 Sample source:Skin | Genotype:Wildtype | Sex:F Phenotype=Control; Age=13 yr; RAW_FILE_NAME(Raw file name)=BT02-009.raw SUBJECT_SAMPLE_FACTORS - BT02-010 Sample source:Skin | Genotype:Wildtype | Sex:F Phenotype=Control; Age=13 yr; RAW_FILE_NAME(Raw file name)=BT02-010.raw SUBJECT_SAMPLE_FACTORS - BT02-011 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=17 yr; RAW_FILE_NAME(Raw file name)=BT02-011.raw SUBJECT_SAMPLE_FACTORS - BT02-012 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=17 yr; RAW_FILE_NAME(Raw file name)=BT02-012.raw SUBJECT_SAMPLE_FACTORS - BT02-013 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=17 yr; RAW_FILE_NAME(Raw file name)=BT02-013.raw SUBJECT_SAMPLE_FACTORS - BT02-014 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=17 yr; RAW_FILE_NAME(Raw file name)=BT02-014.raw SUBJECT_SAMPLE_FACTORS - BT02-015 Sample source:Skin | Genotype:Wildtype | Sex:M Phenotype=Control; Age=17 yr; RAW_FILE_NAME(Raw file name)=BT02-015.raw SUBJECT_SAMPLE_FACTORS - BT02-021 Sample source:Skin | Genotype:M26L/R396H | Sex:F Phenotype=Very mild; Age=15 yr; RAW_FILE_NAME(Raw file name)=BT02-021.raw SUBJECT_SAMPLE_FACTORS - BT02-022 Sample source:Skin | Genotype:M26L/R396H | Sex:F Phenotype=Very mild; Age=15 yr; RAW_FILE_NAME(Raw file name)=BT02-022.raw SUBJECT_SAMPLE_FACTORS - BT02-023 Sample source:Skin | Genotype:M26L/R396H | Sex:F Phenotype=Very mild; Age=15 yr; RAW_FILE_NAME(Raw file name)=BT02-023.raw SUBJECT_SAMPLE_FACTORS - BT02-024 Sample source:Skin | Genotype:M26L/R396H | Sex:F Phenotype=Very mild; Age=15 yr; RAW_FILE_NAME(Raw file name)=BT02-024.raw SUBJECT_SAMPLE_FACTORS - BT02-025 Sample source:Skin | Genotype:M26L/R396H | Sex:F Phenotype=Very mild; Age=15 yr; RAW_FILE_NAME(Raw file name)=BT02-025.raw SUBJECT_SAMPLE_FACTORS - BT02-026 Sample source:Skin | Genotype:M26L/R396H | Sex:M Phenotype=Very mild; Age=19 yr; RAW_FILE_NAME(Raw file name)=BT02-026.raw SUBJECT_SAMPLE_FACTORS - BT02-027 Sample source:Skin | Genotype:M26L/R396H | Sex:M Phenotype=Very mild; Age=19 yr; RAW_FILE_NAME(Raw file name)=BT02-027.raw SUBJECT_SAMPLE_FACTORS - BT02-028 Sample source:Skin | Genotype:M26L/R396H | Sex:M Phenotype=Very mild; Age=19 yr; RAW_FILE_NAME(Raw file name)=BT02-028.raw SUBJECT_SAMPLE_FACTORS - BT02-029 Sample source:Skin | Genotype:M26L/R396H | Sex:M Phenotype=Very mild; Age=19 yr; RAW_FILE_NAME(Raw file name)=BT02-029.raw SUBJECT_SAMPLE_FACTORS - BT02-030 Sample source:Skin | Genotype:M26L/R396H | Sex:M Phenotype=Very mild; Age=19 yr; RAW_FILE_NAME(Raw file name)=BT02-030.raw SUBJECT_SAMPLE_FACTORS - BT02-031 Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Phenotype=Mild; Age=14 yr; RAW_FILE_NAME(Raw file name)=BT02-031.raw SUBJECT_SAMPLE_FACTORS - BT02-032 Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Phenotype=Mild; Age=14 yr; RAW_FILE_NAME(Raw file name)=BT02-032.raw SUBJECT_SAMPLE_FACTORS - BT02-033 Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Phenotype=Mild; Age=14 yr; RAW_FILE_NAME(Raw file name)=BT02-033.raw SUBJECT_SAMPLE_FACTORS - BT02-034 Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Phenotype=Mild; Age=14 yr; RAW_FILE_NAME(Raw file name)=BT02-034.raw SUBJECT_SAMPLE_FACTORS - BT02-035 Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Phenotype=Mild; Age=14 yr; RAW_FILE_NAME(Raw file name)=BT02-035.raw SUBJECT_SAMPLE_FACTORS - BT02-036 Sample source:Skin | Genotype:A3V/R337X | Sex:F Phenotype=Severe; Age=<10 yr; RAW_FILE_NAME(Raw file name)=BT02-036.raw SUBJECT_SAMPLE_FACTORS - BT02-037 Sample source:Skin | Genotype:A3V/R337X | Sex:F Phenotype=Severe; Age=<10 yr; RAW_FILE_NAME(Raw file name)=BT02-037.raw SUBJECT_SAMPLE_FACTORS - BT02-038 Sample source:Skin | Genotype:A3V/R337X | Sex:F Phenotype=Severe; Age=<10 yr; RAW_FILE_NAME(Raw file name)=BT02-038.raw SUBJECT_SAMPLE_FACTORS - BT02-039 Sample source:Skin | Genotype:A3V/R337X | Sex:F Phenotype=Severe; Age=<10 yr; RAW_FILE_NAME(Raw file name)=BT02-039.raw SUBJECT_SAMPLE_FACTORS - BT02-040 Sample source:Skin | Genotype:A3V/R337X | Sex:F Phenotype=Severe; Age=<10 yr; RAW_FILE_NAME(Raw file name)=BT02-040.raw #COLLECTION CO:COLLECTION_SUMMARY 2x105 cells were plated onto 60mm plates in DMEM media (5 replicates for each CO:COLLECTION_SUMMARY cell type). After two days, before extraction, cells were counted using CASY CO:COLLECTION_SUMMARY cell counter (Omni Life Sciences) using a separate counting plate. After that, CO:COLLECTION_SUMMARY cells were washed at room temperature with PBS twice and then kept in a cold CO:COLLECTION_SUMMARY bath with dry ice and methanol before adding the metabolite extraction solution. CO:SAMPLE_TYPE Skin #TREATMENT TR:TREATMENT_SUMMARY Cells were cultured in DMEM media supplemented with 10% FBS #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolite extraction solution (50% methanol, 30% acetonitrile, 20% ultrapure SP:SAMPLEPREP_SUMMARY water, 5 µM final concentration valine-d8) was added to each well after the SP:SAMPLEPREP_SUMMARY washes in PBS following the proportion of 1ml of extraction solution per million SP:SAMPLEPREP_SUMMARY cells. The extracts were scraped and mixed at 4°C for 15 min. After final SP:SAMPLEPREP_SUMMARY centrifugation at max speed for 15 min at 4°C, the supernatants were SP:SAMPLEPREP_SUMMARY transferred into LC-MS vials. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Dionex Ultimate 3000 UHPLC CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% water; 20 mM ammonium carbonate; 0.05% ammonium hydroxide CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0-2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% B; 17-17.1 min: CH:FLOW_GRADIENT linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. CH:FLOW_RATE 0.200 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolites were measured with a Thermo Scientific Q Exactive Hybrid MS:MS_COMMENTS Quadrupole-Orbitrap Mass spectrometer (HRMS) coupled to a Dionex Ultimate 3000 MS:MS_COMMENTS UHPLC. The mass spectrometer was operated in full-scan, polarity-switching mode, MS:MS_COMMENTS with the spray voltage set to +4.5 kV/-3.5 kV, the heated capillary held at 320 MS:MS_COMMENTS °C, and the auxiliary gas heater held at 280 °C. The sheath gas flow was set MS:MS_COMMENTS to 55 units, the auxiliary gas flow was set to 15 units, and the sweep gas flow MS:MS_COMMENTS was set to 0 unit. HRMS data acquisition was performed in a range of m/z = MS:MS_COMMENTS 70–900, with the resolution set at 70,000, the AGC target at 1 × 106, and the MS:MS_COMMENTS maximum injection time (Max IT) at 120 ms. Metabolite identities were confirmed MS:MS_COMMENTS using two parameters: (1) precursor ion m/z was matched within 5 ppm of MS:MS_COMMENTS theoretical mass predicted by the chemical formula; (2) the retention time of MS:MS_COMMENTS metabolites was within 5% of the retention time of a purified standard run with MS:MS_COMMENTS the same chromatographic method. Chromatogram review and peak area integration MS:MS_COMMENTS were performed using the Thermo Fisher software Tracefinder 5.0 and the peak MS:MS_COMMENTS area for each detected metabolite was normalized against the total ion count MS:MS_COMMENTS (TIC) of that sample to correct any variations introduced from sample handling MS:MS_COMMENTS through instrument analysis. The normalized areas were used as variables for MS:MS_COMMENTS further statistical data analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples BT02-001 BT02-002 BT02-003 BT02-004 BT02-005 BT02-006 BT02-007 BT02-008 BT02-009 BT02-010 BT02-011 BT02-012 BT02-013 BT02-014 BT02-015 BT02-021 BT02-022 BT02-023 BT02-024 BT02-025 BT02-026 BT02-027 BT02-028 BT02-029 BT02-030 BT02-031 BT02-032 BT02-033 BT02-034 BT02-035 BT02-036 BT02-037 BT02-038 BT02-039 BT02-040 Factors Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:F Sample source:Skin | Genotype:Wildtype | Sex:F Sample source:Skin | Genotype:Wildtype | Sex:F Sample source:Skin | Genotype:Wildtype | Sex:F Sample source:Skin | Genotype:Wildtype | Sex:F Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:Wildtype | Sex:M Sample source:Skin | Genotype:M26L/R396H | Sex:F Sample source:Skin | Genotype:M26L/R396H | Sex:F Sample source:Skin | Genotype:M26L/R396H | Sex:F Sample source:Skin | Genotype:M26L/R396H | Sex:F Sample source:Skin | Genotype:M26L/R396H | Sex:F Sample source:Skin | Genotype:M26L/R396H | Sex:M Sample source:Skin | Genotype:M26L/R396H | Sex:M Sample source:Skin | Genotype:M26L/R396H | Sex:M Sample source:Skin | Genotype:M26L/R396H | Sex:M Sample source:Skin | Genotype:M26L/R396H | Sex:M Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Sample source:Skin | Genotype:R309H/c.1191+5G->C | Sex:F Sample source:Skin | Genotype:A3V/R337X | Sex:F Sample source:Skin | Genotype:A3V/R337X | Sex:F Sample source:Skin | Genotype:A3V/R337X | Sex:F Sample source:Skin | Genotype:A3V/R337X | Sex:F Sample source:Skin | Genotype:A3V/R337X | Sex:F valine-d8 1096533915 9888904594 1084328343 1056601487 1114226225 1131698610 9899043145 1064154203 9323024782 962289913 1043494296 983774531 939073702 9893853602 9182965171 1015876405 1046803593 1064431891 1000815866 9819406001 9929108611 1075488782 1038205356 1020746636 1000795597 8244037622 9504542582 1026530985 8917607895 8881590713 8809196583 8760070112 8280111603 8977430735 9747279325 2/3-phosphoglycerate 1335288507 3842233588 5705320089 1169065586 9874878791 922848601 7763793556 6559778938 2751424137 3903371028 3295254569 2772111171 2187982998 2962020765 1489554126 2422576556 2098850894 1157512198 842928854 8971126679 1843752536 1415401878 903397584 5667916413 9206665211 2142710438 2878192231 2616786632 1640297884 1749168618 123141761 7815191071 7887611071 5589924425 859275359 2-aminoadipic acid 2182120319 178055031 2132130206 2380102717 2220983182 2542600971 2466761161 2469584132 187657602 2215748268 2000347998 1778582741 1760041594 1373436749 1133153512 1817311726 2123933436 1815664581 1923578504 1678457894 1264869198 1284536104 1234222706 1391677972 1405516211 2699416146 3097183515 3219540017 2689352928 2869831461 3946417657 3593669987 3653725937 3413637408 3695297851 2-hydroxyglutarate 4940324437 4091528512 5507811327 5638042055 5932866738 7465975048 5286614403 5659912073 4673511811 9201043075 6628535442 7669576174 8386287736 501847607 4867306877 4626839094 4680207954 4645124901 8238877457 5706180336 5621939695 4667805989 466685114 5476116037 4247160322 9620420174 9071045024 1004534965 8601338311 9257480797 5900028253 8520689493 5829313296 5782610617 6411842877 2-ketoglutarate 5440203375 459901893 5601027252 7246787173 6309829097 885726803 8943993397 961181893 7620377279 8537442141 9550806767 8763651662 8632922967 8951663269 7184591134 5736962969 6586712566 6000834079 634675578 638379856 330770655 3375273236 3423792133 340778033 3592952895 163460920 2095216104 2419320033 1732877373 1853759785 1040663438 9968866747 1019544429 1025033349 1195233824 3-phosphoserine 3271950806 56641986 3784011138 1027878554 5345122167 1359384391 1107193659 2546951825 1782820157 204610933 1127999291 6159484085 1070026714 1954863377 2100998392 8029435072 7247856286 1027646591 755664138 1225390585 114533483 1519164035 1927267268 1983571671 1917950912 3191642825 4599383523 6341108511 5173945579 437626031 1139349563 1320025976 1502978863 1713078199 2230871355 acetylcarnitine 1672453618 1493013441 1699494574 201309742 1841621212 4979222359 4976691096 5074348065 4524016414 5536250614 4185713538 3765997071 3767117834 349616354 3109997841 2745291352 2856595052 272247636 2887757487 2836420233 3430502688 3798769726 3557950026 4075597871 3948615734 771118889 8973991187 1030298527 8296819281 8614616291 7612156457 7520269358 7355204488 768273507 8728065436 acetylcholine 1644946185 1374891545 1658137926 1835918452 1848976853 2533228508 273895749 2493268259 1977718161 2350429597 2638089152 2339783529 2438755689 2034433488 1595065258 1912286844 2159792528 194747037 1875365925 1729916957 1127128073 1238604721 1135451276 1255604818 1239001434 3774051725 4559669819 4368996195 3800668006 4170074571 5518642225 5130100778 5087940803 481397234 5258084085 adenosine 8892025405 737920772 7356285873 8629461886 8359022913 1400771215 1208673213 1149139903 1015864318 110346597 2478228812 209828441 1973565777 1959545652 210430440 1363349705 1274171172 1098246045 1051661138 1143923374 542466101 5280609415 4671638904 5185275486 4630223273 1547202311 1803216854 1921074659 2018844107 1778127125 1283926695 1158136782 1060652798 1120624391 1133745149 ADP 3692240823 2895504903 2656325635 2601279912 2592648019 8415390349 8126809157 7790295215 6121049205 6127914874 7451470209 6772857664 5361555233 5439576688 3975459222 4914541456 5380759312 4953183319 2984326477 371931079 3378737605 3329864624 351730616 2483176024 3872235747 787260377 108084507 1167359678 9312590515 8561480608 7150690567 8352823753 8462143231 6680905879 8739632139 ADP-ribose 5400394645 4743556123 2912390178 6450204272 5230671132 9823527468 1283057233 9501020167 7518769123 8825365231 8993915709 7855885568 6553508472 9399292745 5250677425 6826374282 9006328541 6768254039 48376422 4554912376 4532621873 6828246143 623797205 6537586965 6994577197 1163159936 1745075842 1533986277 7811547309 9584439879 1457371979 1202589094 1160421583 100561197 1309947194 alanine 102461164 9398745114 1229830867 1217686978 1177014557 1902514632 1911423202 1978405984 1672552586 1711755731 1761895615 1672224227 1608967751 1630200755 1370961426 132606073 1275893592 1225466206 1296086882 1317479125 1007833798 1098551654 100814964 1051892654 1086582656 1931533423 2216609475 2353332104 2108894472 213830793 1754350198 168837686 1699200288 1652120659 181242221 AMP 6849530688 5235238643 5043033245 5381704768 5344002593 1143959693 1255470867 1331601896 9659388795 9427277372 1149284537 1041122535 8956669016 9242582971 7693226312 8711041287 9537471259 8898891827 5068387978 659518811 5742679846 6255268807 6679889102 4875352895 7177709656 1091507253 1376285729 1501463513 1340139378 1159073161 1028764662 1029292479 1080899843 9786950883 1163029644 arginine 1583648622 1380735830 1782200327 1742532836 1659329775 1831017638 1698037951 1815764022 1511859447 1707782096 1991885294 1842467766 1901017312 1562882351 1484814409 1441659794 1392294753 1381514987 1439391144 1404632955 1212663548 1054443626 1056602583 1070569471 1067003904 2127570533 1974232234 2173854523 2158002297 2119964854 1716452462 1802178650 1682842749 1831177840 1830017369 argininosuccinate 1136483482 1114598547 1473780372 1496974808 141068766 1121471427 1093094893 1191457246 8602486648 9602130461 1006261329 8500227094 1056477211 8302964436 7441922981 7326387231 7713939698 7480324123 7131150449 7097697566 4385563099 5980403535 6041031359 6159027917 53565405 1575907034 1757786487 2128340611 1864487455 2101687731 113745383 115688913 1199448081 895266335 1398151166 asparagine 8946941265 792142868 9146768261 9997171715 9515721606 2453827932 2492013435 240715937 1881329461 2253232955 1314244299 1221555813 1288805307 8362451932 7312676384 1385467913 150522134 1350404694 1291877095 1035135577 1350795083 1382069415 1224511104 1328647027 1579399205 1286891665 1590535846 159056658 128385684 147980461 1441048318 1506714282 141359889 1241670148 1384463896 aspartate 6799727464 5996455078 6661115723 8314212014 7694350037 1257532410 1230967838 1278032936 1039331336 1211543812 1111692559 9569729257 9144285642 1034240411 8450766708 864974255 8863381463 8252290244 8147483142 8075952762 5348928242 6091032708 5464190896 6258604689 6227451232 1546862485 1863664839 2046649733 1776177447 1777522246 1586573686 1639802048 1595494131 1513231341 1747084390 aspartylglucosamine 189046355 155472555 2019465459 2275355593 204566797 3807216102 4078854752 4162435461 2999109553 3622293618 3117085293 2994539902 2736887628 2488693707 2068743756 2250572219 2465097782 2221712347 2024269141 2237872002 1159873457 1493870703 1179766773 1538105278 1600140819 427399271 5160802559 5695330161 4127499547 4609153029 4167283782 3676648667 3758643523 3688889508 4328568427 ATP 5262376917 4180504724 3711512386 3533049683 3754512327 1648492576 1491205672 1390929686 104785178 1067927274 1183442254 1083195148 7413284169 8575369219 6244349704 7633721037 808492456 7153296458 3065894669 522887701 5037328967 4726849748 4854258666 2713422302 55296026 1702718827 2277277397 2509163971 1913210817 1802643485 1422480117 1560759753 160995762 119995260 1685838139 beta-alanine 3478917712 3199443701 3797222271 3948787012 4062152782 3016113431 2823461234 3039416072 2836864669 3156107604 437662891 4147733756 4173134715 4309684519 4017021417 4995754221 5530228711 5241517457 4730267517 5141145604 2589259241 2474683097 2525191844 2648431432 2858111903 8419466263 9332765054 9888216273 8658133446 9309880881 5423440626 5646801001 520415713 5631260151 5784617234 beta-citrylglutamic acid 6127309121 5063916071 602942925 6040525903 6109945142 141373111 1313309651 1397112794 1005523198 1193088077 8695041029 8591151799 7804086532 706139844 6135632213 8818266256 9707074317 8602236312 8476868383 829811956 5844350615 609231861 5557226415 5680983279 6159223474 1004011019 1200352034 1260895901 1090031187 1139366431 1412472961 1476765951 1391811433 129864935 1585095261 betaine 4949502663 5276979947 5229803613 6002407951 5327128638 8215725158 7563527643 9146732549 6881293315 837244572 7636774402 7740617515 7777672947 6530105483 5913533948 6869516924 685612405 6202603903 7574166399 6445666527 5779777032 5790337645 5512130062 6607744864 5644014654 1601296019 1582468049 1558776397 1484960528 1447153641 2298938981 2027378736 1938992558 1955687744 2123251903 butyrylcarnitine 3705332569 3289031423 3845926892 454170734 4277067954 7359895003 7466724361 6841711766 5676812885 7114125548 597981441 5698292348 586043267 4701237101 4374499792 3271988031 3812346518 3479199895 3917229085 3768294342 3377794747 365187117 3260524627 3818929802 3489879094 9674952904 1165237118 1180310439 1025158135 1087119218 9071991889 823299358 8117808117 7910573729 8429769642 cAMP 1643516556 1296147403 1241610758 238668673 1746692521 8556864109 9296030653 1191104839 9272990793 9862424263 221621002 1525473561 1542024172 1279972148 1132741056 8331482096 8766415374 9031076891 6632321325 7982984771 2832303756 3353747137 2084721609 2254055285 3454427911 8566726367 1190551308 1131670112 977033948 8733897613 1054746563 1138029444 1090546072 1093528766 1262537684 carnitinamide 4925711271 455563741 5929095741 5941128801 5647096449 7900361504 6977849105 7665691219 6493184428 7333883995 8286064805 8051883218 7832577462 9308074023 1011941234 6431775876 6473885717 643884294 6740672421 8807293118 5815191858 5465121496 538275539 5501848458 6042980767 9843853657 9800967556 1044210818 1022468029 1076103798 9684207049 1029278251 1013588404 1059160578 1050683812 carnitine 9999823312 8351002663 9523988105 1108825427 1133129623 2359226837 2606988930 2471368733 2001299023 2299782099 1849810336 1677542530 1669437480 1519683889 1211983633 1292043730 1458202094 1245508718 1264464051 1248990278 9919538819 1123942880 9916108712 1137729361 1089271568 2920724348 3531408166 3688362164 3140956344 3410291094 6041567868 6161790231 6195609741 6005957176 6448078985 carnosine 5212065656 4346590641 5814807597 6519719095 5832216207 1300391997 1291749495 1418469446 1121298975 1139615698 1123169614 1001282559 9493622945 9512732132 7895133818 9685243036 9990107032 8918500099 8999741632 8762504313 6395424619 6201650947 5106013127 6588669308 6336088422 1708370062 1854312396 212438608 1775326358 1919702239 1821298992 1791962564 162973327 1702794799 1765997073 CDP 1412678797 114025807 7047870503 783588423 9943407104 3452923703 3335816305 3145656687 2176968764 2500654573 2516661477 2389202143 1586356727 1905243643 1237843425 1466739972 1940843407 1581872677 4687521533 1028330303 1139157704 9642277798 876455972 6526949512 1151913638 3945547082 5803280167 672130851 4804544679 4695368458 3475065319 3693812687 4269560195 2622088548 4061971097 choline 1041497365 9036238405 1094376807 1201920193 1122465748 2922249904 2757513897 3030290251 2642330425 2850716574 2402428655 2275211460 2201040885 2158743309 1831699065 2339647612 2612012509 2249384085 2462851237 2383502445 1115459987 1159264263 1116727496 1257460453 1196806686 2847165209 3111431198 3250256432 2962973590 3159905842 5318828075 5225121336 5342184571 5787254543 5992312940 cis-aconitate 2518805582 2419108221 3808384229 3415203449 3074078552 5263710356 4245435927 538751483 4664910135 6203101519 865765212 8924947869 8089401319 587475745 5326160219 5500030853 5334040777 5499285734 5827751485 549678836 6353224353 5388674444 5218079702 6185531223 5692243018 1439069709 1805922946 221045482 1354717435 1509007238 8709433583 9122265302 8506321557 9274474564 1059982882 citicoline 2680313096 1890025113 2499157041 3004792655 2841906313 5198104613 5266845687 5081389722 4290429818 5105445699 5720454458 5605171032 5231616215 5267894511 4511268373 4348990925 43469412 4040105931 4060625964 4480112245 3126230586 3324952127 2916796645 355826613 3699344334 4375835062 5407563609 5344447278 4694244419 4598822243 5519791671 6332374278 5874961316 6014318154 6541925792 citrate 9167219852 728026051 8784505654 1191991006 1221908575 3457275503 2686715619 1895038758 169298052 2664953125 2973446869 2343225975 2216181057 1949030221 1412382955 1995600929 182000898 1866142301 160602284 2039627787 2343151407 135681426 166877908 2109485651 1767528883 8282447195 9852473008 1274273605 7667918435 7635543476 5677278536 5412177745 340170683 2948685673 4848080254 citrulline 1048926187 8751172261 1072740167 1217640865 1026266438 1497749732 1226180638 1674886061 1310033214 1480379425 9887570116 8280132236 8435225607 8258902287 8527818405 7945060325 7808294335 8209275491 1010045685 7521113797 7840908437 1455409261 7103227174 7442505189 7481264738 1187581035 1507053799 1345455398 1299631042 116751856 1227978183 1012798271 9264024911 9091865634 1182562816 CMP-acetylneuraminic acid 3336913848 269964031 2921446242 3371204123 3304381339 6774577264 6972296773 6880963694 4693857063 6175225509 4877808727 4345796392 4621379248 4301251238 3814086282 4082679155 4159362509 4105339133 3898106295 415288799 2453698311 2771596749 2562045808 2792914661 3022095987 6376699495 8775651796 9692505653 7683682018 7318235741 6422976429 6061822551 5996103184 5241960301 6247790856 creatine 7591594040 7012132694 8729974712 8884865049 8321001304 10956406385 11498534240 11121872986 10057977244 10746027767 13607306315 12360633153 11752455227 12338406627 10364098957 10257306934 10019374126 9769394306 9944356806 9933764600 7879202282 8762224057 7938144213 8560904478 8687141975 14183861493 15599739149 17258683169 15658613716 15814335414 12645988652 11860863118 12101716152 12108951084 12996161888 creatinine 1618523045 1472971008 1894421135 2133926153 1596292715 2403603958 234004519 2372429564 1823306319 2020162506 2439480578 2452355017 2483998527 2892591986 1754365724 1890594393 2118250457 198705023 2183643916 1865773525 153399733 1481974819 1463797897 1988703972 1551453661 3138292931 3696589204 4048811776 3105258412 3214087224 3123215714 2733996305 2500826812 2636538509 2639608877 cyclic ADP-ribose 1619998531 1462249273 1679377296 1803427488 1778121378 2332725668 2432801286 243568088 1967629765 2266436394 2615521809 2444699775 2237450336 2129324884 185585345 2084175083 224271303 2086947259 1793507274 186668333 1485718441 1672250994 1572340681 1651641982 1682128687 2775964686 3524498477 3460089599 3073634769 3182675984 3012507861 3048128776 3090728152 2841576262 3271671011 Cys-Gly 493592631 3681063248 4214384053 5050677898 5744053283 4683777043 4015323753 4245127749 4334747 4866979269 4853912666 4034112882 3532000126 4859576964 4134671941 4412193983 470008455 4032933634 4326214143 4540047093 2050104968 2063831034 1957121429 1971722881 2254960512 6228944645 8447811316 8605341159 6801876882 6892628508 7621236222 6894945377 7017859765 8484719978 8634910262 cystathionine 8825540886 8131660318 9138517018 1075699704 1061392338 3398507456 3347546889 3261877298 293268357 3446790201 1748168515 1691098773 1684933772 1646733702 1375881635 8398303876 96271813 8523500599 8496175448 8001396699 6613982276 7693224377 7049100541 7819200396 8046800138 9462540432 1249779807 1384742117 1058506466 1076258798 1078331771 9875502648 9802260356 9994745864 1128556676 cytidine 582396742 436866761 5192149287 6115533643 6821315955 5683616803 4351091417 4234088756 336863012 6164694902 7883368434 7554625708 7412994068 5676765297 5376543938 594357834 6443491079 5855829157 7747310323 5637185097 316464447 3018411213 258742164 3413957137 2388033323 7817499396 7264109486 8209313261 8023231046 7841661337 1328784316 1378813187 1160092003 1096257663 1253298519 cytosine 5370179309 4526367014 5054006313 5802447274 6292113218 5180040783 433106789 4087827845 3197035518 5646553348 7208665336 7009053623 7083984155 5034685139 514268597 5521305049 6004765176 5444205994 6809144892 5249241992 312324955 2707815983 2857101286 3192509784 2821390106 7339092207 7250261084 8465520014 7454844495 7696858528 1248904757 1262664474 1053277459 1025157034 1161539641 dihydroorotate 1415138023 2072894153 2847361438 2070213363 205898743 1157141776 1000730225 1539764689 1684232219 1955752003 1533873076 1554344529 1243801654 1363048647 1591210428 8545032421 8220964103 9282343334 9542077458 1262313565 129085226 1111456202 8502116187 1923341998 1415750489 3961874878 7531769201 943363257 6057137798 6327505012 3543463054 7056343159 4437344036 6037611232 9890980548 dihydroxyacetone phosphate 862990383 6234132485 6232995296 7510428333 9232735087 107952062 1011863752 1043046121 7739086009 8057562508 1197447271 1109228268 1055212153 9857854365 8954861848 1036280167 1033460147 7600700313 7449546435 6805641421 572051575 6561145808 3775872422 5264222671 4298031086 1487122391 1977901635 2135632147 182011191 1890759581 4606866738 6823969142 6224411719 5985079707 6412514015 dimethylarginine 4468558292 3899117995 4795072826 509345064 4867330709 5210482359 4761914215 5245507961 39117268 4586037505 6090448036 5520961484 5602173033 4568409264 3979671978 3848607556 4119003964 3737181112 3825275511 3599923066 2488491349 2298692132 2259438826 225670233 2245656262 5912554771 665115545 6593827575 6024719801 5999066615 5601937154 5623576513 5304305813 5700344932 6070873179 dimethyllysine 1221198145 1018726533 1290261124 1302683906 1250835588 1018679357 1073096844 1337950629 1095317193 1188202638 1689874605 1498096298 1510355855 1328035729 1151936377 106427218 1074313837 1054859875 99595471 9922407283 7693782161 7508242778 7022497656 74505932 7551696757 1087995828 1264900317 1226640476 1334035793 1309995345 1148036662 1339551346 1341298461 149837794 1550770165 dTTP 1046588261 1788871454 5974749286 0 3643184561 4590484374 2986157638 3358074215 592980177 7475718041 5662550888 4449911977 2372042164 9570133601 6129770063 2342410762 1009973246 1441855941 4486014947 1679685493 1700528197 1341992197 9152623655 5388487465 234769756 1207171324 1913891659 214153666 1325385829 1133477144 2082636509 2608479193 2322590498 3600805263 5445621435 fructose 6-Phosphate 3327217523 3721786913 3820931748 464462406 3874291972 490782623 3401402759 4702137369 4083446821 2603196202 7640940094 7433357075 7462205091 6350732124 5147706567 5674813705 618687332 6199966265 5022224416 4564241462 3510670916 3427132374 3485149839 4442723235 4028711257 1060945539 1494443791 1622029438 1085547949 1123006582 1428677982 1293167185 1388248952 1440088263 1563103817 fumarate 3082342547 3308908032 374257796 4220882062 4318933933 2511944664 2661792613 311715209 2869319066 3040383094 39980795 3486616183 3509023221 3974359679 3330210133 2964271994 3289021458 3478506831 38228392 3826106129 2431249223 2451181369 25028932 2895517306 2957830516 3904874083 4325529563 4824218003 5257166803 5175449478 2797843182 3572884118 3387376385 3474793581 4008197483 GABA 1765459578 1640859152 1791377569 2078781411 1957197941 2975507121 2949987883 2991684673 2398382671 2594476098 2455285054 2178513896 2138966022 2263993055 1990651993 2140114928 2199971723 2053507062 1942774468 200450669 1550389982 1705883247 1608296087 1702739582 1712564612 3324317352 398869275 4423832587 3607766261 3590277894 2690419777 2611954835 2620184139 2569309345 2715504197 GDP 1037867574 7167858806 393124456 5577859466 5939058135 5447741808 5063368311 4115578421 3312403418 2991704143 3030913122 237967403 1427530367 1769657693 9753143882 1577640352 1869846559 1692156477 3042699243 9433876919 1130702009 9673786143 101929614 5667630679 1164304326 5801739447 7347443433 8591575313 6070870689 6051277903 4834137622 4882730328 5191868366 2928240431 5475167547 GDP-glucose 3766372197 2423377432 2600573127 1612254716 1153888728 1587028788 137854619 1589910985 8722226722 1072719263 1182150216 1339356789 1421968199 1076298957 740958919 8690241808 9223236357 7687795289 65166593 5816339998 4580799467 2617854409 3492280933 3552526321 3432199081 1058551556 144089606 1672276547 1264943324 1158281924 1632825923 1900547055 1687495892 1696210776 1899131869 gluconate 6114560726 5554686311 6843164272 7835583356 7421892394 8507637096 7416185959 8410993538 6628530273 9986170658 1197740883 1050348042 1122672214 9742903822 8531615419 7049572322 7055159138 6782494964 8431729194 7365694361 5867991562 485176464 5272180094 524288446 4828919239 1415655651 1445820086 1581602762 1417999456 143419730 514994051 6489406627 5053858921 5375610223 5632978379 glucose 4391043995 310552751 5703315214 4303651742 6254226982 1621550097 724966572 9073158335 5303867511 2720560026 7656531087 1833399439 2345903621 1069835087 7348641957 4444185164 3393995131 4306192571 2361980305 9114491062 1706568823 9476617808 1048407008 1361141188 6544803086 1351068354 5402161652 5745374418 4715613122 3661998737 1099286137 1986533319 8200345764 7889836836 6113486892 glucose 6-phosphate 5504038124 5195682498 6420018186 7309790675 6613685502 1256512757 1002187356 1035877931 8575400842 8832522017 1666221744 1515422118 1443694244 1192740509 102891415 1221117192 1202109796 1115212461 1029901376 9517209651 83391826 9073881877 8369506288 1009474536 9560341089 2556138555 3427578569 3783887552 2575943472 280061371 3630165539 3443121332 3245192994 310651771 3474239316 glucuronic acid 7160443092 6337694248 7555502517 8919419691 7956555632 97716969 8171902625 9630678632 7964789809 9889195829 1464986902 134198742 1292805691 134979859 1172287478 8012412487 8136770314 7930692325 862129273 8435387667 5883346511 5418262856 5290981026 611986797 5336589209 1443871608 1452204105 1681484691 1582652462 1574186639 7750584881 8899387181 8487626575 9036867194 9562693387 glutamate 2958961919 2749859395 2960450376 3430700900 3240427389 4933289175 4856450530 4954062132 4118623092 4379505907 4073357141 3615996518 3547637289 3777007703 3225549911 3564812145 3713818596 3461456862 3270374931 3286446128 2528159546 2827669473 2707513146 2817018523 2883588630 5391644406 6401779553 7190907074 5799329469 5833749448 4458160653 4315729573 4408896446 4202096784 4531537673 glutamine 4723078662 4313800518 4766425895 5235545675 5149941733 7594901361 7721195577 7851812833 6763322556 7422825427 6932029722 6648353944 6717564130 6581821463 5737362506 6107251272 5931756529 5822174687 5793342527 5635795199 4608262295 4742257777 4522723816 4847673870 4810408780 7753410947 7914332539 9279845327 8038294014 7922707917 7600438814 7841840232 7375764703 7598772877 8261625091 glutamylproline 1313089298 1175724738 1488723406 1562887128 1445411397 1786178661 1629455788 1791550596 1675296489 1886179029 2046480434 1804810668 1785534317 1724242399 1586184279 1523064315 151595687 1514755948 1527203046 1631511759 1179939712 1181319025 1217943347 127996231 1276012107 2393046823 2603754379 2919010201 271144026 2694162316 1635860656 1641793603 1669331458 1945213101 1847351092 glutathione 5087303901 4210258706 4979609624 5844896773 576399050 6105609858 5908120829 5983743166 558157616 6291567346 5452143886 4780256957 4652676215 5508696019 5089316564 511288867 5390572923 4925171915 4945899437 5508888627 2576341987 2556093427 2525638012 2786931655 2888857515 7250629512 8842063584 9580148741 8044826782 8493272048 8961545057 8521872011 8390038284 9286888804 1015482098 glyceraldehyde 3-phosphate 1238154056 1349877913 1431619298 1698643229 1366585253 8506864896 1080481974 131624554 1539046548 1134061393 1138585899 9488120892 9127547207 1190603879 1083474537 1130112712 1485993833 1394750195 9835518312 1347514084 6232678472 7525485679 8171417684 7245011691 9875534659 1194161687 1563742447 1733819202 1912790405 2065346365 803320274 6730701061 138841974 2083619579 1918829293 glycerol 3-phosphate 4671697969 4384427368 5045208866 5850971214 4647846119 1583883244 1728605971 1648136734 1420239078 1515135741 8684748264 8432359733 8899428865 8850871377 7709177732 1232878569 1328077777 1205472045 1183409429 1128446378 5465284476 6369997533 6275725107 6761748627 6996260247 1583627034 224705445 2532118083 1583942729 1922280846 1982683929 1776000573 1818395423 1919006874 2058029285 glycerophosphoethanolamine 3250281245 2943287057 242614712 2993947771 5810319567 2070003484 2129667473 2142262659 1855559969 2273600184 1759004271 1606366764 1702437358 1727313091 1347670511 2055848016 2458695934 1922876604 2024620211 1966538618 3009792383 3374927489 3924166894 437650562 2477757684 3501054224 4253921359 4508109509 3604766434 3635483351 7198738901 6449984241 665538146 6141435406 671395585 glycerophosphoinositol 1076454294 936546456 1056825512 123332014 1177789769 8074925437 9759826336 1066290831 758703687 7166792072 1745492881 1432967728 1396798066 129459831 1053597967 9074529711 1021552048 1019858727 8355021353 8722099955 65676179 7700718424 7528960747 702405821 8627610173 1105352501 1472353313 1391896235 1438415949 1506958083 1069718378 9419164395 1113590031 1178775775 1162940387 glycerylphosphorylcholine 1893169787 1539968809 1961893295 2138627047 2125211912 4295053554 4364572436 4429008177 4155827575 4654282339 3191004168 2775973162 2927645312 3278899421 2816464079 6838245057 687842022 6593427457 6395644702 5988761464 1310691591 1472668707 1368943099 1484718032 1370339389 8272584339 9801828093 1030587611 8122779228 8791601473 1347610608 1155660086 1197178148 1320830080 1338304617 glycine 1219935434 9213590296 1677590728 1673137766 1467934871 221450557 1612472085 1789238418 1874498173 2214779461 1599105529 2161573682 1568825941 1185608735 1322604597 1528898978 152230234 1428358316 2184226224 1484765393 1056554809 2019624684 1067881138 1456975052 113237577 3161584913 3165875743 3281916531 2952827383 310739503 2567484733 235018865 2050927993 2304954952 2666936665 glycylglycine 1875193372 1625243221 1939059125 2380606873 2300442004 3209391292 2534495473 3032730583 2788116398 3442041423 2335335585 2721426879 2735252935 1808207849 2000114594 240424992 2576827098 234942938 3102685735 2587873099 1869525008 1925156946 1912202617 238110192 1875105849 353955643 4087173205 3799811833 3610093889 3636022119 3109981696 3302914002 3208834071 3330082261 3597063422 GMP 6313756127 4761391033 3801801494 4903725619 6674243328 1746439938 1610791468 1464106663 1183120633 1489253578 1066484532 9230647121 7013460459 7914245843 5132501394 6491451867 8505257336 7620234275 3527348528 6627618188 6654439393 5382441284 58418322 4794197858 7453281701 1516175697 2209124925 2013974767 1577199898 1683460342 1072162712 1276585912 11584541 9521435695 103632686 GTP 9129326346 617077626 2545815401 2560917799 3098840446 8656557615 7361244754 5575849602 4404850422 374587926 3760184449 2349815892 1056762161 1726955249 9662245254 1504443613 2037545514 1499808137 6275302294 6177644967 8400187584 355478681 2713779584 1514573719 6732727995 9185908095 1200249699 140863848 9258476728 9673447289 7657394549 6469597897 7662229989 4078549521 7670610232 guanidinobutyrate 1317107031 8895250014 2188955121 1229672085 3150721428 3493528235 8348457586 9208635979 930376523 6811263966 8329886585 411288153 6389709933 7174702774 2115221944 9131121737 8999826081 1261581744 8761244487 3874451773 5089760162 3085355668 3266564749 5049725481 2215746281 4570037516 1774083258 1861104688 1919899915 1752855065 1623650101 5783579022 1367266613 1294748845 1585727316 guanine 2636513001 2246333106 2620347882 2779749725 2898593975 4407321086 368582864 3571420106 2944419627 3657174563 7343279027 5886956002 5343804756 580301593 4615316121 3422323598 3469855669 2669409193 3418694989 2555664897 1734814345 1804266215 1558014525 2086206221 1585603874 3732012602 493933085 4482915721 4571248527 443631884 5973118827 5393063078 5293376581 4871901689 5798720982 guanosine 4956818579 385690872 4375618536 4858624626 5072689596 7626103113 689826592 6148491329 5150700522 6972577878 1297822262 1143133901 9748047302 9719402091 8343328382 5991846512 637806734 5211574039 6245504162 4814644431 3195616985 3478441207 2710564021 3333967657 2815856522 6847989966 8578890756 9388138373 9162772964 8352218986 1045904746 9830230573 9436473678 8867860669 10084491 histidine 9548380225 856198779 1086048360 1088625311 1006497100 1807077575 1729602942 1877304321 1594040362 1564545608 1715031856 1518717308 1501380021 1472361416 1384159615 1380279511 1350920481 1328205768 1258438001 1253808817 1069678835 1084517749 9758756452 1032452450 1036679684 1904725289 2013740017 2042181074 2028339708 1974695705 1679124828 1686212133 1667820134 1708486853 1828618431 homoarginine 1758626442 148947803 1949118359 2054450181 1873404245 2027013625 1906586882 1884356716 1585942787 1766079812 2219101776 2134497384 2119767973 1713878027 1458504303 1426201065 1376533322 1348999984 1401738624 1314424032 1112033712 9311709859 9010469587 977266062 9569910228 257056111 2403576961 2664086611 2456572716 25540484 1882922986 194010133 1771504521 2004903587 2044199222 homocitrulline 3874131645 2849789197 3962391478 4922990299 5959520609 1575932465 1148292194 1282822726 1132451836 1043441583 1033487892 1068210264 1077004292 6290459355 7246904219 5378824528 6145229673 9398403973 7805798496 7803618018 3771543782 3888633406 371848357 373573079 4584426594 1073865516 1384223413 9555231564 1058684163 1046666623 1006217689 1225941065 1070546769 1069487934 1050542516 hydroxyphenyllactate 1841605297 167779475 2134515531 2272311772 2058021598 3057485541 3160313686 318718006 2742661821 275153476 2214400709 2118408022 2083748603 2363550578 1719269708 1907315448 2085011045 206137431 2218103891 1968497568 1770484156 1683163684 1534257617 1846385057 1700954093 4104131879 4543854529 4794488951 4292481826 4097666724 3762167891 3087479626 3144057536 3351454086 3657663808 hydroxyproline 4916224858 4502563414 554210791 6053028646 5634803481 8850994323 7908756064 9086916093 8224693543 8812830203 7906518043 7057556144 7763668544 7535101346 6037780317 6995162738 6581530083 6980381791 6445434914 6698052568 5127403554 5195862607 495094867 4993267072 4992363062 9102396035 9846193659 100825096 104121002 9628258227 8682544575 8821888052 8552719197 9129113815 1043708988 hydroxytrimethyllysine 1688060879 1487677708 1944048013 2122252226 206594606 1136949461 144787149 1619181712 1442547835 1393420543 241451361 2016038299 2182353305 169771104 1484389729 1507258147 1788651482 1792741447 1770183855 1702114009 3851163804 4253423514 4174114742 4362747046 4709259965 1221494149 1426840225 1372085944 1475662405 1632430789 2081021706 2425906027 244848314 2783971007 288573733 hypotaurine 1549516892 1384367477 1489527503 1714074278 1677637057 1454526126 1578735194 1625284722 1244301859 1494898842 1705741713 151762286 15670775 1592330265 1371664275 2757480914 2881754475 2739796811 2526065283 2627162672 1248018408 1355129324 1344341861 1467404503 1528422558 3885284736 4406955544 4682800913 3971920082 4300579114 402101508 3799114681 36392276 3632071091 405836947 hypoxanthine 3513569055 2969617965 3959401005 3725170996 5009150288 1223004166 6558265812 7567023573 4359853979 1110091158 2746922191 2449173805 21187513 1127613115 1504550654 721256334 6833088816 6302203747 1292664378 7675713316 6047019822 4253366656 4261355611 9281102508 2802882598 5036988798 8118193216 5326525623 8113112622 5178668067 1009620586 1277613582 8259660366 7772453359 8683887715 IMP 4719033702 6213310143 6024668717 1394264949 6628246439 1306072492 9829168306 1274075749 7799298588 1121486763 1394841536 9308305411 5714703661 1185380777 7232967187 6674474124 5612344917 2087814379 3667457416 0 322600615 2583196286 5872147216 5583740155 4383730441 5631408602 302738675 3653166248 2273105397 3522556105 6389392643 1084990768 116217815 1374501342 1193198173 inosine 5918912772 4151294467 4394061007 6194921229 6733209703 1165635318 1034489031 1090596661 7440627491 1059183266 1927565304 1411060931 1270589196 1253062166 1123687519 7313578923 8106682594 6181387839 6655066161 6517457335 4938349585 5438442515 4506876473 4404063289 4524829784 1708255041 170821367 1510551084 175722396 1573185217 1816665172 1884329151 17231450 1440192441 2122371237 isoleucine 7457202982 6012047501 6516609777 8156383391 6855241711 1495664200 1653244972 1746456104 1387407050 1489110129 1576572431 1402443464 1355934035 1393584729 1131915446 1272140426 1304936618 1182587479 1058222348 1007175935 8434139515 8808395322 8762485603 8861966165 968265429 1751167723 2318910024 2212692454 1921651039 1846803102 1794875091 1575610549 1572262935 1556545336 1836623074 isovalerylcarnitine C5 5466665118 4160503674 5326165444 5960147815 5797786867 1057263404 1207649067 1154273387 9303278397 9521178157 693803695 5979732955 5929322924 544429831 456309191 558578554 6722542806 5749783604 5122717809 5416954837 3782661688 3978752565 4107923162 397176299 4296817581 1591260193 1901466836 1851503456 1583951935 1819379188 3163626285 2435591274 2738766978 2928599206 2933996351 ketoleucine+ketoisoleucine 4240543431 2976652467 4139737628 349922411 4380981325 5165218393 4699422973 4578774402 3771337953 7417628652 4521476558 4842344719 6964995603 4954604336 4303904143 2677083246 2742521745 322864961 6352890205 2464880063 1972691357 1921778605 1748077407 246438616 1863375952 5240069589 5188206489 4922823272 4425985092 4164708806 266589632 2903968134 2330670549 1971697294 2413055387 ketovaline 5716150068 4167829919 6435174228 6092638793 6906153574 1036676554 551188874 5975081819 5115790339 1232299737 494384216 1079460882 1167108202 4937618219 521719848 3196690359 3643473665 3462868475 1267579918 5630593127 5660077393 4668976 4805474749 9573002543 3909839859 6781144882 5208629488 5049859849 5063180528 5012990387 4041568286 8029057607 3493884353 328522391 4305512203 kynurenine 1805778692 1300858219 1707580672 2346020217 164799752 6340705734 6322147157 5706534552 6515029414 5779854502 8572855665 7087095262 6447467568 7573330543 477203878 1128654736 130302135 9470334244 9511954235 8365578537 4021488683 4504168307 466568201 507184388 4993432947 1188117898 1389867673 1582423146 123240095 1272664409 2534864526 2047662238 2226960027 1974462995 2478397485 lactate 9639269274 1002449002 9520909114 1137377296 9100042722 1927073355 1413558884 2039447682 1342585895 1484928888 1228113865 1574743371 1451387393 152894824 1185638643 7844185137 7027469082 606987044 1129445908 6152798712 9355352655 9046142387 7304242485 9077170993 5305591663 1844229593 238222849 172234253 1512143185 1547519787 1423175708 1003280242 7833669606 849001536 7963883027 lanthionine 1262142838 1101777307 1173257459 1424633837 1395434792 5464458336 5308021436 5265301156 3675119605 4667899232 2035351864 1980952496 1890712247 1653088851 1249386054 1313241531 1463075736 1332482532 1273586832 113330881 1245187783 1484679414 1299579036 1361984408 142050308 1579503312 2029715559 2151486675 162842186 1716961512 2664424378 238216754 2482483155 2095354345 2523706131 leucine 7185190714 6271638722 7093485867 8419278699 7518331902 1909870505 1974073738 1936554800 1453124939 1744189956 1624330554 1365358710 1393792657 1461683405 1088010202 1249803656 1359428082 1174733788 1146249477 1086273890 8667417783 9487841731 8961719175 9907932333 9095961826 1995751921 2285154722 2856824717 2123690335 2075230409 2045241462 1762332974 1904094834 1816879360 1987760095 lysine 2007068425 1784902311 224226693 2409454035 219326380 2611724157 2364845198 2549572625 2005566198 2266652519 2766869557 2585304612 2656206639 214664577 1776370206 1765635279 1810733947 1653379164 1712565797 1545136297 1331047434 1234108754 1175605767 116531474 1154411079 3051595087 3304389972 3724465878 3104981091 3229924258 242646240 2424685973 2240282288 2416976453 2573233966 malate 403687505 4386900021 4835380774 5752286447 5719101993 3629021656 3559057319 4300125409 3956651338 4310403945 5577744949 4732399352 4735347216 5463258862 470436500 4416462138 4630852558 4832420294 5148863704 539771543 3200659609 3574966898 3554884622 3893004262 3908877105 537973970 596593977 6480341237 7040651527 7004736992 3987192741 5018393074 4701231062 4959147994 5851671071 methionine sulfoxide 3354292458 2915521607 3489044556 4266079776 3299222423 8582184225 7417464565 7123700073 9008304934 7707255968 5759227257 532544772 4929958495 6415912464 4214395555 4100956753 4206550089 3799571106 3406826443 3377941188 3038478619 3094352784 2751484969 2714056841 2907603844 5203543807 6752089141 6548254603 6425932819 6840389155 6439373829 6257039527 8158503041 7405181868 7332711905 methionine 3719043641 3306359574 3595122372 4331069373 3940105223 8176662536 8137518974 8105455382 6709148528 7644300922 6810912554 6195829129 5867857844 6470807844 5113568547 5438132317 5789616252 5539939288 5249535653 5048517157 3689328027 390493710 3787407927 4119631897 4051146116 706411946 8991675918 9725614257 7795999837 7636606803 7759648798 7186320589 6962265246 688499637 8150074928 methyllysine 4928654354 4559558003 5931511508 5942083116 564950153 7904688078 6980730074 7665691219 6499594472 7334746762 8291739126 8055932868 783574762 9312870038 101252442 6433247205 6476979507 6440134985 6744651369 8806659898 581762324 5465121496 5385275277 5502652277 6045275529 9849111649 9809098652 1044981967 1023352886 1076103798 9690750891 1030235234 1014193452 1060053627 105139252 myo-inositol 1129914032 1046924120 1194199619 1318955738 1272780401 8007791815 7710165593 8398224859 6737834373 6615736072 1230085951 1084927464 1114925064 1126022439 9993576411 8240980243 8424967569 8395556929 775617694 7685486914 9657926949 1029303655 9741484295 9941455679 1010164437 9575285559 9795228651 1081129157 1032463906 1022524804 3217076608 3633355004 3999404592 3580692693 3587601173 N-acetylarginine 1976152253 1707485202 2568099883 2440563153 2804985878 4341407876 2302965901 2359844908 1530045158 3707159308 276620888 3937008063 486640112 2220192173 2689102377 2033062794 1964991098 2133697118 4461354203 2584378499 2372070404 1938968893 1751009689 3562067234 1556993138 504436033 4678212448 4361339347 4606144775 4858732282 4823480776 5938673989 3898119087 403750433 4187684193 N-acetylaspartate 1631213239 137658186 1844736152 220014415 2107059099 1412806186 8943720466 9895472542 7217471091 1801197748 1502549654 1787795211 1753015305 1163372333 1050269007 1009273671 108198393 1044642939 1766952122 1293808928 6217082367 4781223272 4867985111 7827460901 4322151492 3359065696 4289759575 5030729985 3702606978 3657905763 1668125781 2163759085 1415545789 1382233903 186448168 N-acetylaspartylglutamate 426151424 2004621836 3495059444 3664329433 2808680876 131447101 2222935419 2683059303 2962615858 2181328107 472624357 3078759703 3151187972 3773959405 3656335575 3649423571 4139556189 381575283 2912128542 3291532187 1902268734 2135222733 1962776286 2032228432 2322525852 2101751965 240295626 2465795416 3520115912 3769537336 1036132006 1808356411 1831611271 2412219544 2289229273 N-acetylglutamate 877160895 7205619237 8768897728 1143464071 1042135075 6283892923 569525218 6014427277 65653396 7098924118 4989976082 4526981153 4584181954 5269776764 5467535558 3446303564 3800060636 3384415965 3998170502 3900197732 309778916 3305188172 302643115 3678983678 3502020261 6114263443 6937202057 7697730818 6541100301 6732892379 4742070175 5035520399 4672008757 4761933007 4749278507 N-acetylneuramic acid 1469299214 1383180057 1453449321 1799601826 165073902 321444061 3250770348 3583453851 2314842287 2676059213 239551116 2157501095 2154741652 228183548 1743330893 2356732515 2413480256 2247418064 2202380304 2261739095 1266948502 1334356571 1294707655 1366272051 1372617861 3254803181 3843300928 4457901517 3584742575 3633504299 3241709669 2756244964 2780103565 2543094119 2764255263 N-acetylornithine 1599195327 1404614438 173392213 1840935894 1649334269 3207461783 3124889905 3168562824 2496540364 307538168 276052153 274049574 2635506372 2585345287 2123498662 2054308489 2192202999 2137404469 2107168424 2045325987 1648124689 1750449285 1632691724 1909416019 1698114075 3035624202 3385175815 3522933501 3123869816 3120269798 2987071012 2872112074 2924143253 2987371823 3227459137 N-acetylserine 1038287549 9464572193 1084982726 1258295964 1176324502 1161457694 1190937584 1338319467 1142335035 1220601222 1007289884 845361025 8402972317 9190762131 813204989 114765163 1175754965 1134153423 1031418431 1068846371 6841621167 7202482843 6892988411 6699050477 7572225225 2063986873 2337560872 2256836916 2208347562 2376456109 1429135954 1297562526 1353778776 1326931437 1513306183 NAD 1138583074 9561175691 1158927544 1272276133 1205573327 1619532367 1666394858 1642254646 1357490836 1461047281 175584655 1582622873 1500740294 1464355431 1245531031 1385822472 1448047808 1334306829 1258545042 1280165021 1013950634 1067005189 1043286403 1115515722 1134625191 1873167078 2322755098 2244848488 2123465439 2184540065 1937016642 2057484379 2065597448 1950238261 2197160696 NADP 6382664765 4586150575 5840702654 3012411554 5916030072 1911538115 2000973686 2042970759 1485678194 1725393586 1951276345 1994611518 1389229009 1338316666 8558554403 1401244315 1661990068 1199352152 7946838163 8278137023 1001287438 8453322731 8462625184 6592259025 1001478052 2145790043 3685513811 4119616621 3000765348 2611762141 2041822097 2748458842 2628477209 2138902856 3067668055 NADPH 5005286831 2890008751 1910921324 1666409833 2556102357 1061795674 9128531648 9731184381 4289237178 9846385038 804031353 8471292825 7580342861 5464184266 473644247 4072550379 3493426799 4969373775 2828924788 4852109585 4013062082 3578884973 9887558145 2551521882 1917825478 2053085312 1625049378 1772625421 1537133985 1106483154 133704771 1635041394 1351631704 1284460008 1523440367 N-carbamoylaspartate 2742448733 413838541 3720502674 5399153845 4320934707 5799607576 224487649 9431914927 1585507823 1118196198 7004557143 5967643954 8041439589 2053964269 1949167183 1061686364 1217694195 1511023745 1635824207 2544167239 5883749387 1392740478 1602549037 1637232099 2125600709 1533914951 2230203092 2710169517 2440495209 3148512353 8281641051 3728127052 1122689203 5642998598 6264111605 N-carbamoylglutamate 1857238916 1877278987 1745684923 2632965559 2193331636 1960760465 1813157058 2484853517 2710007713 1842073162 283364468 2160763654 2340081194 2375712061 1697870649 2234376644 2490569357 2468596982 2566861515 2064554598 1269355791 1601273405 1539641965 1736854112 1802177411 2827648417 389302682 4811848827 3207427221 4112659433 2507462887 2921568313 2690056511 3127926989 3412005691 nicotinamide riboside 2833234748 239649811 2763923334 3541647318 3482315402 3062599186 3187286309 3777192365 2693457868 2843099953 641188502 5325359652 5484940984 4069492034 3343290431 3943783429 432862745 3683717157 4148899328 3624415897 2571669398 2910986845 2502672293 3003153584 2367120869 5829862416 6386849809 6026243443 5999227313 6506620916 6876203442 6929152886 682752145 7637613654 7197920824 noradrenaline 1318875949 1096950204 1256586788 1537383247 1296413423 2286487609 2452860173 2684462193 1757932654 1885106706 2040123553 1879750555 1720755695 2205998198 1451741166 1753339763 1768405193 1625433163 1420165533 1481369608 1332312228 1189963892 1194356467 1138150641 1191999942 3818043062 4104656196 4598527301 3751371237 3689135986 3317205006 263668290 2525438398 2677634809 2865281295 ophthalmic acid 1307184726 1078911923 1435085718 1824126675 1652421508 1444828467 1447235483 1351224098 1470244272 152006779 2324524135 199696326 2071597039 2583708707 2097513252 18778633 2195611234 2005995722 1757944633 199878694 1025003279 1266526923 1089686415 1156740157 1204285516 4412406078 5277394499 5170264345 5135649309 5303198528 3513513031 3497550188 3207242504 3485414868 4181874393 ornithine 2346019061 2899653289 3413095699 2933340759 249294552 2754503366 2323815124 3195387366 3040101937 2819234031 3838608313 3376280999 3337826713 2556657477 3797532419 2428431385 2392931359 2112230058 2314559877 217668791 1899308848 1449207533 1548980467 1339256106 1373911842 3668015889 6225014605 3422403471 3368369916 3244149678 4596027459 3275039263 2998980886 3367094462 3370958286 orotate 3186313549 3547421561 4358160801 4870362531 4538446433 3820130608 1668106256 4101868101 3739370883 6677395016 3130824123 4800279514 3987089833 3708175736 3941839572 1625684695 1564744578 1765151289 448290641 3205634007 5853520142 3515458728 4117507227 3737469208 2798316044 7974208847 9959213431 1099406928 1202413546 8743685896 4583468027 2762913278 8993313194 1527339534 2217349332 orotidine 4849538234 484818977 5149897676 6415886115 5697957587 2135625621 2384806699 2503371493 2977882439 2942502363 2498933783 221914097 1903288713 3400444041 3130853097 295236752 2962419945 3084278346 2757241668 3715230593 1429884325 1964843405 1789848848 1820254093 2072699966 4340253885 5219516065 573105677 5772945008 5704019498 1691877739 1878844092 2217813775 2619819251 2869228307 oxidized glutathione 5964558617 4019515118 6248427113 6529219116 524512 1402362005 1673546071 1043610629 7808924734 1731097007 4007792543 4405394366 3820346585 9490786519 4391843311 7408361075 9977474647 6089854728 5288448831 535868553 1355556607 7116151589 267634034 5724863564 4471580014 2247163397 2643504379 2363138987 1424631637 1842187916 4180548098 3351739217 2431916934 2578096103 2861190474 pantothenate 5177572757 4503794529 4841796865 613995477 5317855496 1527523615 1782380988 198813692 1755091911 1578475394 5090587323 3527783832 3314836461 4977151558 3723536133 591072557 6267471807 5775449373 4482387934 5191283454 3975202699 4483357485 4244444014 3994997128 4855696183 5288801795 6751341227 7636147031 6600033551 6481440218 2033121026 1792468531 210324651 2299167829 2497059874 phenylalanine 7303708694 5938528155 7351679385 8643892531 7958542272 1878761960 1827679690 1838361559 1401864744 1772049587 1493232692 1489709729 1535709442 1418919420 1090331629 1163317491 1194609736 1136909438 1282921661 1099786966 8418900213 8838410187 8369372138 1029998786 9124253538 1773215945 2120318588 2421748638 1891328271 1906077255 1817635104 1665927723 1616017416 1558594574 1757226249 phosphocholine 2211159769 1848892221 2277554092 2561934369 2342500703 5476513065 5353128145 5557089792 4654285607 5640691548 3769126948 3148530380 3172590811 2966059157 2681352558 3467766407 3793163964 3320354927 3586689638 3750862357 1568202257 1697118558 1561880008 1768858983 1820346018 6307972845 7277207025 7458549378 6615137376 7045969670 6294033642 5946556004 5699280139 5725901862 6699528593 phosphocreatine 9492364927 7821519142 9253873587 1079722349 1026174808 1819053431 1765229405 1817470415 1522063444 1714266193 2394018455 2136693549 2253035666 2171772161 1944869989 156070575 1753536839 1584308054 1561292894 1475458069 1179971304 1262530686 1161541575 1263445383 124475462 3406170937 4102764587 4545270199 367647445 3617813388 2320556155 2167729995 2195448806 2098588061 255524800 proline 3532346421 3163654354 3740035760 3925179564 3890458649 4996993411 4852267898 4925459651 3721832821 4445372370 3980738782 3338788876 3573579067 3236910108 2655730564 4456531036 4982533126 4617891914 4573251213 4374158798 2748352632 2786399531 2583763181 2773749502 2828727024 6237982691 6992135644 7790857770 6330628469 6842134432 6201467610 5782899754 5817374114 5760333032 6400762613 propionylcarnitine 3997014313 3399966225 4013759274 425924882 4339467262 7376037351 7852298756 7169248457 6143193135 7187684678 5496877735 5300432574 5174948957 4944852034 4065064266 3721658679 442674868 3871527966 376014873 3565058479 2483334977 276975090 2564493364 2940952723 2857424542 937610138 1157431725 1113327795 9115541064 1013789251 2025448865 1671688576 1735904733 1768397361 1833072673 propionylcholine 1657851702 1428232931 1684977744 187331916 1948324165 4489416235 4737884969 44596031 3550616977 4545882055 3191114658 3032895933 3133661579 248581223 2068452025 2011809141 2266041439 209140961 2215286687 2021318561 1864773752 1897107772 1823158265 206768141 1924820257 5458055691 6493822549 6287756463 5506256245 5837527711 1191342891 1147537192 1099832057 1100391526 1180387669 pyridoxine 1503637105 1336255541 1345135643 1661930147 1328556447 1857620928 2460301538 2600136869 1813644815 1506818644 2238786793 1485546354 1480157186 2437761134 1393784857 2010830092 1895242367 1810444272 1207425844 1413798244 1238902853 1239079091 1203850009 1132547131 1276883599 3053165428 3918952558 4364811698 3464598765 3498112722 3208379398 2030700628 2627925787 2709720836 2813592281 pyroglutamic acid 4173513006 4214291986 4533352441 4869049171 3890244325 846691304 1084001257 1005958637 7481048537 764408730 7506634538 6807890302 6847214579 1012776643 6320005357 5114644092 6658922111 477705479 5050839682 3994047114 5078527799 6440556487 5465021086 5558287533 5367059982 9864936546 1704428588 1469248369 8881142644 8125633233 1476131077 790850343 7740396707 7238290088 7699014275 pyruvate 5615047791 4786004169 5226663368 4473424815 3930919814 1153540349 977280936 1218602299 7177427535 796428568 7908019561 8262201488 7619446632 1061553106 5608358852 472960665 398633388 3637082043 4118840944 3357123322 6398715003 4885206389 4419326956 4558371771 3539283348 1059936719 115632179 1275838299 8441081221 794963045 1073880308 6601793831 6880721409 6835241195 5797803619 S-(2-succinyl)cysteine 6551922509 5893772482 9916698794 7473697321 8464269672 1431493563 9972768317 1005120339 6958067676 9012491568 19593457 1768499375 1455453377 6219123196 436486761 1264790902 1173540257 893497774 9155591243 4929116917 6018458572 9980426224 6883839563 1704386973 2695164007 1404075012 3110043118 3300269266 1795870734 196604146 638910949 4904753564 4486634765 2038340438 4569216207 S-(2-Succinyl)glutathione 3733884119 2406459734 2220372263 2862942659 363046365 3781548545 4055770373 4039859892 3393426493 3420473388 3547098135 281549009 2730521072 2729295081 223635734 2092065155 3350875133 2997336664 2412103567 1906647313 3706692875 3050506688 7314669329 3237755422 9136647219 5510921196 7366677397 7367095073 5927364202 6168963355 599350525 5745599745 5623303022 5252817248 7262353855 S-adenosylhomocysteine 2279291611 2139038079 2616866643 271827738 2543399102 8238202686 8682563981 8958466204 7664803254 715751365 8990295432 7118652734 6865836126 6943300476 5911990063 6303789124 7260335905 5954778184 5780997037 5896784223 4357934152 5063652374 4252401818 4764852322 508366529 6756786037 8761573802 875891639 7627030175 8730844405 8390455691 7941727779 8802526663 913896221 9960525672 S-adenosylmethionine 405988583 3537921327 4242585607 5024411083 4274759269 8350634559 7419745859 8346863469 7181286811 8600108192 9264629985 8059702786 7716141631 6681855855 5914604309 5491364002 4940211198 5286764581 500514699 569845487 4242526606 3635175107 3563583798 388156623 401850085 9924168166 1253736968 1429534467 123216032 1201237859 6001836048 7844262779 7399094497 849544109 9762693565 sarcosine 1430480089 1303199395 1520997161 1746114174 1814762137 2605093932 1811660986 2041735986 179715243 3468035912 1776401719 2277466767 2847002767 1936770003 1615451368 1774875944 1455204158 1771253746 3001583833 2104203665 2000105872 1912705413 2113321769 2244354816 1780346085 2537289981 2250888989 2388909538 2171892402 1897458217 1901294648 2504984062 1879468736 1787122182 1914266286 sedoheptulose 7-phosphate 1164494009 2544122124 1054117409 261774619 2281709255 1776736488 3196418713 4162366571 3619556281 2651473466 6002728348 807632379 104321565 7672786039 665576521 2248174765 5452748848 580463007 4711900035 4644732818 0 1010519956 1944950055 2009917727 3019549679 754934613 6340554254 8499683614 1333091779 1207448923 1532660159 2018837342 2416961403 2215985614 2023776133 serine 142666854 1433740795 1664747867 1945840542 1750730447 4837059862 4585865136 536065307 432311761 4845200318 3845256852 3547430835 3123938247 327503615 3110010041 2737805677 2727270381 2611178308 2785120836 2655276032 1942970106 2194909454 2030325043 2268986738 226623657 4383917033 5387299673 5717382188 4853616369 4900403237 4648395422 4714450688 4268616786 4283312699 5107052868 succinate 2147862465 1598075224 2394862927 2880751374 2956054782 3672940157 2357632624 2640216701 2471403026 4803758435 4688147856 5404799974 5032644584 3197671993 3202259192 214787512 1975278785 3687227407 3782918312 2871294724 2706495439 6175054068 2631745557 4110736052 2139013153 4248155341 5100415982 4007940938 3730529655 4242592958 4336238675 4266595624 2761597852 3264933944 5435035368 succinyladenosine 1653334181 2183984395 4284726392 2211575869 0 2513620672 1566160751 0 1810423666 4741724377 3822971342 2507315706 405779012 1681820859 6819265249 9100081263 1783124578 5342472813 1878955809 1750169047 5313810034 371021963 2526422327 180382102 4065979475 1299029375 1616450271 1789035124 1615797755 1520317667 6162028633 7309305301 6195271664 7854863655 6287526165 taurine 692082129 6130400964 6931145737 8018829016 728147475 7429370008 7196835992 7436347798 6152471446 6937363755 8051964742 7308974021 7481185956 8354899843 6332982907 1233072067 1310880581 1167925191 1122024383 1147016954 6073453736 609132724 5874386355 6233606168 6422709456 2364870156 2594749989 2872373483 2303410757 2459527405 2161490972 1902596378 1840141019 1901633828 1950492172 thiamine 1125992664 1144626026 1373009492 1491847145 1395786679 7279846861 9298308488 1104220773 108530559 9971702934 1533868587 1306635988 1425668233 1394688763 1175060885 1059435059 1287760912 134106236 1481565064 1454526205 7678082672 1005293562 1032233944 1089758308 1118238374 8208767942 1105326677 1081506281 1192883975 1207144944 8457606094 1109028932 1077828193 1255915301 1340696305 threonine 4716326156 4017338826 4686207761 5445776179 4958905135 977114681 9013410738 991981751 8266399187 9348627724 8328666316 7473373197 7682623655 743917929 624520329 6382472441 654189299 5815509698 6108400248 5931026213 443692262 436480394 429972947 4927209225 4865813642 8839425953 1044307850 1141581481 9385980605 9737740927 9322198032 8727795302 8607418923 9016024745 1003603645 trimethyllysine 4682540952 4135497129 5252333763 5772472808 5337782824 659542703 6060041351 6575541168 5310657215 6191010413 8333204604 7681931258 7826639985 6472659429 5513924637 5439775942 5679601521 4994104112 5247427471 4916000002 4056237076 4117966875 3445350434 3953655133 3859350636 7460442833 8257112901 8535932388 774436226 7855548398 7973205969 781621083 7529657627 8488599745 844308246 tryptophan 8836857976 7466181621 8226431656 9696928475 9265305746 2176487876 2188943411 2221219297 1607583343 2026044225 173242793 1584625559 1583215642 1554817302 1203505476 1306004133 1478398768 1358295901 1363117603 1192522766 9372242729 1046416771 9705089609 1106372436 1031406025 2110026852 2621821249 2960882973 225654387 2220385576 2195180966 1985271335 1922526175 1800144173 2093937982 tyrosine 375758371 3227327172 3500991835 4171508709 3843406037 9789696994 1070711708 1044159728 7532435659 7288844262 7939308853 6730317323 6257752038 749211175 5296294113 6205540349 6452257308 5493925939 4766922578 4900116158 3855698136 4133827437 3764202646 436176262 4217685687 9169749636 1251179351 1387048137 1071579085 1105353583 1046929797 7807496882 9510307492 8776254018 9680345313 UDP-GlcNac 119349163 9786750315 1111600677 1224088311 1183860192 1862541054 1910611592 1868929905 1224267821 1430505657 199058073 181433125 175342089 1522975496 1254414123 1556778603 1776592629 1560799794 1501779223 1284082973 9699360338 109635386 1006714001 1074543709 1092341373 2149319802 2665157667 2922195112 2317927929 2295817881 1984445213 1802173946 1784932049 1553849664 1786111379 UDP-glucose 7428697652 6623446689 7398271215 8029637988 7379001188 1181435357 1156294309 114850830 9443915295 1087303051 1097896648 1036484696 9611007417 9562001652 7872756257 9213808945 1000290962 9111238701 8252288137 8126473394 6618754483 7200583854 6674703963 6950090034 7402337759 1481299993 1835854827 2052366274 1632823783 1627671055 1357060207 1390125176 136028709 1270239232 1514368018 UMP 1179213617 7013465162 747756598 8076828701 8288681663 1511879961 1644455682 1410640861 1103277106 1559310163 1677970135 1414286712 1049212507 1132385421 8268117497 9109444879 1143489656 9329330044 6768180492 8031487552 8418104032 4722127196 6603987851 7151379183 112600029 2072448748 2245786935 2277678762 1865780844 1937956727 1736252027 164715352 1803849775 1491222326 1894593113 uric acid 3523722975 1743406492 1862691559 2135991332 1269887893 2433180261 1827145374 3196198565 2120189015 1594187429 2106793594 2531065032 1718465472 1889460871 1876539521 1116497461 1255803403 9202662835 135074533 8571833436 1911832328 1492589193 1011931672 1151445216 7308633881 3921864498 4624094306 3886528392 373093502 2932030732 4984001133 1750374662 1755674873 1845521674 2548440445 uridine 1241608341 1011974159 6672128141 1123710301 9719233701 7272982695 1156483686 1144257634 7708282929 7233103637 2889040582 1186149581 1153706448 2377500406 1125429632 1219307471 1400701408 9229589527 6086375049 577176539 3319837465 4098462126 3838048571 2950890218 3971460646 1118709505 1792767223 1810864932 168555168 1582395706 1476935792 1123044876 1421989262 132722011 1435891118 UTP 1168849398 9249134927 8358992909 7908333243 8782431695 2632791992 2421890352 2267544745 1769082341 1952004322 1986723392 188903409 1336738886 1516060703 1126332411 1330808161 1409269815 1239332742 5989178454 9065031038 8991026035 871271156 8648485916 530821157 9566963554 2901118967 3966603573 4355125168 3343283214 3153173998 2510146672 2769026539 2930407311 2146671282 3100882682 valine 3145829603 2735352704 3304115409 365288771 3423004886 7931585884 6898243435 7621656412 597198018 6814249817 7232189481 6542235993 6528609712 6224130467 4917116758 5591898001 5862945001 569396728 5143906574 4958644525 4217579995 4185428974 4272692506 4328464367 439503532 8283092911 8986765181 969286591 902251965 8784619613 7710975248 7829921214 7101977221 7587451787 8676742476 xanthine 3364513724 5756423325 5470716479 4414148175 1974511504 1222575983 1027078618 1759362242 9017723377 8301511692 1023361016 1013551836 9033747326 1274474697 7116645659 4784707883 4147887801 3291081665 4633212326 3160048796 9660125675 5555035143 5046486695 5442007847 3463577388 1482613225 2165376633 1265692298 9890810675 8212621587 2053433227 1182518776 1134196538 114059484 866314068 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID Kegg ID 2/3-phosphoglycerate 59/724 C00631/C00597 2-aminoadipic acid 92136 C00956 2-hydroxyglutarate 43 C02630 2-ketoglutarate 51 C00026 3-phosphoserine 68841 C01005 acetylcarnitine 439756 C02571 acetylcholine 187 C01996 adenosine 60961 C00212 ADP 6022 C00008 ADP-ribose 192 C00301 alanine 5950 C00041 AMP 6083 C00020 arginine 6322 C00062 argininosuccinate 16950 C03406 asparagine 6267 C00152 aspartate 5960 C00049 aspartylglucosamine 134129131 - ATP 5957 C00002 beta-alanine 239 C00099 beta-citrylglutamic acid 254741242 C20775 betaine 248 C00719 butyrylcarnitine 213144 - cAMP 6076 C00575 carnitinamide 5346 C02290 carnitine 10917 C00318 carnosine 439224 C00386 CDP 6132 C00112 choline 305 C00114 cis-aconitate 643757 C00417 citicoline 13805 C00307 citrate 311 C00158 citrulline 9750 C00327 CMP-acetylneuraminic acid 448209 C00128 creatine 586 C00300 creatinine 588 C00791 cyclic ADP-ribose 22062770 C13050 Cys-Gly 439498 C01419 cystathionine 439258 C02291 cytidine 6175 C00475 cytosine 597 C00380 dihydroorotate 439216 C00337 dihydroxyacetone phosphate 668 C00111 dimethylarginine 123831 C03626 dimethyllysine 4478779 C05545 dTTP 64968 C00459 fructose 6-Phosphate 439160 C00085 fumarate 444972 C00122 GABA 119 C00334 GDP 8977 C00035 GDP-glucose 135398656 C00394 gluconate 10690 C00257 glucose 79025 C00267 glucose 6-phosphate 5958 C00092 glucuronic acid 444791 C00191 glutamate 33032 C00025 glutamine 5961 C00064 glutamylproline 11218768 - glutathione 124886 C00051 glyceraldehyde 3-phosphate 439168 C00118 glycerol 3-phosphate 439162 C00093 glycerophosphoethanolamine 123874 C01233 glycerophosphoinositol 45480545 C01225 glycerylphosphorylcholine 439285 C00670 glycine 750 C00037 glycylglycine 11163 C02037 GMP 6804 C00144 GTP 135398633 C00044 guanidinobutyrate 500 C01035 guanine 764 C00242 guanosine 6802 C00387 histidine 6274 C00135 homoarginine 9085 C01924 homocitrulline 65072 C02427 hydroxyphenyllactate 9378 C03672 hydroxyproline 440015 C01015 hydroxytrimethyllysine - - hypotaurine 107812 C00519 hypoxanthine 790 C00262 IMP 8582 C00130 inosine 6021 C00294 isoleucine 6306 C00407 isovalerylcarnitine C5 - - ketoleucine+ketoisoleucine 70 C00233 ketovaline 49 C00141 kynurenine 161166 C00328 lactate 107689 C01432 lanthionine 98504 - leucine 6106 C00123 lysine 5962 C00047 malate 92824 C00497 methionine 6137 C00073 methionine sulfoxide 847 - methyllysine 541646 - myo-inositol 892 C00137 N-acetylarginine 67427 - N-acetylaspartate 65065 C01042 N-acetylaspartylglutamate 188803 C12270 N-acetylglutamate 70914 C00624 N-acetylneuramic acid 445063 - N-acetylornithine 439232 C00437 N-acetylserine 65249 - NAD 5892 C00003 NADP 5885 C00006 NADPH 5884 C00005 N-carbamoylaspartate 93072 C00438 N-carbamoylglutamate 121396 - nicotinamide riboside 439924 C03150 noradrenaline 439260 C00547 ophthalmic acid 7018721 C21016 ornithine 6262 C00077 orotate 967 C00295 orotidine 92751 C01103 oxidized glutathione 65359 C00127 pantothenate 6613 C00864 phenylalanine 6140 C02057 phosphocholine 1014 C00588 phosphocreatine 587 C02305 proline 145742 C16435 propionylcarnitine 107738 C03017 propionylcholine 75612 - pyridoxine 1054 C00314 pyroglutamic acid 7405 C01879 pyruvate 1060 C00022 S-(2-succinyl)cysteine 25060473 - S-(2-Succinyl)glutathione - - S-adenosylhomocysteine 439155 C00021 S-adenosylmethionine 34756 C00019 sarcosine 1088 C00213 sedoheptulose 7-phosphate 616 C05382 serine 5951 C00065 succinate 1738118 C00042 succinyladenosine 20849086 - taurine 1123 C00245 thiamine 1130 C00378 threonine 6288 C00188 trimethyllysine 440121 - tryptophan 6305 C00078 tyrosine 6057 C01536 UDP-GlcNac 445675 C00043 UDP-glucose 8629 C00029 UMP 6030 C00105 uric acid 1175 C00366 uridine 6029 C00299 UTP 6133 C00075 valine 6287 C16436 valine-d8 90969676 - xanthine 1188 C00385 METABOLITES_END #END