#METABOLOMICS WORKBENCH Chakrabortylab_20250814_114743 DATATRACK_ID:6283 STUDY_ID:ST004135 ANALYSIS_ID:AN006855 PROJECT_ID:PR002600 VERSION 1 CREATED_ON August 21, 2025, 10:56 am #PROJECT PR:PROJECT_TITLE Genetic/Pharmacologic Perturbation of SLC1A1 PR:PROJECT_TYPE Targeted MS, Quantitative analysis PR:PROJECT_SUMMARY Epigenetic dysregulation, including accumulation of Histone H3 lysine 27 PR:PROJECT_SUMMARY acetylation (H3K27ac), is a hallmark of pVHL-deficient clear cell Renal Cell PR:PROJECT_SUMMARY Carcinomas (ccRCCs). Using an in vivo positive selection ORF screen in poorly PR:PROJECT_SUMMARY tumorigenic pVHL-proficient cells and mechanistic studies in pVHL-deficient PR:PROJECT_SUMMARY cells, we discovered that the aspartate (Asp) and glutamate (Glu) transporter, PR:PROJECT_SUMMARY SLC1A1/EAAT3, is a metabolic dependency in ccRCC. pVHL loss promotes Hypoxia PR:PROJECT_SUMMARY Inducible Factor (HIF)-independent SLC1A1 expression via H3K27ac dysregulation. PR:PROJECT_SUMMARY SLC1A1 inactivation, genetically or pharmacologically, depletes Asp/Glu-derived PR:PROJECT_SUMMARY metabolites (e.g., Tricarboxylic acid cycle and nucleotide intermediates), PR:PROJECT_SUMMARY impedes ccRCC growth, and sensitizes ccRCCs to anti-metabolite drugs (e.g., PR:PROJECT_SUMMARY glutaminase blockers). Herein, we performed targeted MS on samples from cell PR:PROJECT_SUMMARY line models of clear cell Renal Cell Carcinoma to evaluate the metabolic impact PR:PROJECT_SUMMARY of genetic and pharmacologic perturbations to SLC1A1. A-498 cells were treated PR:PROJECT_SUMMARY with control (DMSO) or SLC1A1-inhibitor (Cmp3e) to evaluate the metabolic impact PR:PROJECT_SUMMARY of pharmacologic inhibition of SLC1A1. UMRC-2 cells were made to overexpress PR:PROJECT_SUMMARY control protein (blue fluorescent protein; BFP), wild-type SLC1A1 (SLC1A1-WT), PR:PROJECT_SUMMARY or mutant SLC1A1 (SLC1A1-R445W) to functionally evaluate the SLC1A1-R445W PR:PROJECT_SUMMARY mutant. UMRC-6 cells lacking SLC1A1 (SLC1A1sg4 and SLC1A1sg5) were made and PR:PROJECT_SUMMARY compared to control cells (sgCON) to evaluate the metabolic impact of SLC1A1 PR:PROJECT_SUMMARY loss. PR:INSTITUTE Cleveland Clinic PR:LAST_NAME Chakraborty PR:FIRST_NAME Abhishek PR:ADDRESS 9500 Euclid Ave, Cleveland, Ohio 44195 PR:EMAIL chakraa@ccf.org PR:PHONE 2164456620 #STUDY ST:STUDY_TITLE The SLC1A1/EAAT3 Dicarboxylic Amino Acid Transporter is an Epigenetically ST:STUDY_TITLE Dysregulated Nutrient Carrier that Sustains Oncogenic Metabolic Programs ST:STUDY_TYPE Targeted MS, Quantitative analysis ST:STUDY_SUMMARY Epigenetic dysregulation, including accumulation of Histone H3 lysine 27 ST:STUDY_SUMMARY acetylation (H3K27ac), is a hallmark of pVHL-deficient clear cell Renal Cell ST:STUDY_SUMMARY Carcinomas (ccRCCs). Using an in vivo positive selection ORF screen in poorly ST:STUDY_SUMMARY tumorigenic pVHL-proficient cells and mechanistic studies in pVHL-deficient ST:STUDY_SUMMARY cells, we discovered that the aspartate (Asp) and glutamate (Glu) transporter, ST:STUDY_SUMMARY SLC1A1/EAAT3, is a metabolic dependency in ccRCC. pVHL loss promotes Hypoxia ST:STUDY_SUMMARY Inducible Factor (HIF)-independent SLC1A1 expression via H3K27ac dysregulation. ST:STUDY_SUMMARY SLC1A1 inactivation, genetically or pharmacologically, depletes Asp/Glu-derived ST:STUDY_SUMMARY metabolites (e.g., Tricarboxylic acid cycle and nucleotide intermediates), ST:STUDY_SUMMARY impedes ccRCC growth, and sensitizes ccRCCs to anti-metabolite drugs (e.g., ST:STUDY_SUMMARY glutaminase blockers). Herein, we performed targeted MS on samples from cell ST:STUDY_SUMMARY line models of clear cell Renal Cell Carcinoma to evaluate the metabolic impact ST:STUDY_SUMMARY of genetic and pharmacologic perturbations to SLC1A1. A-498 cells were treated ST:STUDY_SUMMARY with control (DMSO) or SLC1A1-inhibitor (Cmp3e) to evaluate the metabolic impact ST:STUDY_SUMMARY of pharmacologic inhibition of SLC1A1. UMRC-2 cells were made to overexpress ST:STUDY_SUMMARY control protein (blue fluorescent protein; BFP), wild-type SLC1A1 (SLC1A1-WT), ST:STUDY_SUMMARY or mutant SLC1A1 (SLC1A1-R445W) to functionally evaluate the SLC1A1-R445W ST:STUDY_SUMMARY mutant. UMRC-6 cells lacking SLC1A1 (SLC1A1sg4 and SLC1A1sg5) were made and ST:STUDY_SUMMARY compared to control cells (sgCON) to evaluate the metabolic impact of SLC1A1 ST:STUDY_SUMMARY loss. ST:INSTITUTE Cleveland Clinic ST:LAST_NAME Chakraborty ST:FIRST_NAME Abhishek ST:ADDRESS 9500 Euclid Ave, Cleveland, Ohio 44195 ST:EMAIL chakraa@ccf.org ST:PHONE 2164456620 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 A498_Cmp3e_R1 A498_Cmp3e_R1_042022QAC10 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Batch=R1; RAW_FILE_NAME=A498_Cmp3e_R1_042022QAC10.wiff SUBJECT_SAMPLE_FACTORS A498_Cmp3e_R2 A498_Cmp3e_R2_042022QAC11 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Batch=R2; RAW_FILE_NAME=A498_Cmp3e_R2_042022QAC11.wiff SUBJECT_SAMPLE_FACTORS A498_Cmp3e_R3 A498_Cmp3e_R3_042022QAC12 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Batch=R3; RAW_FILE_NAME=A498_Cmp3e_R3_042022QAC12.wiff SUBJECT_SAMPLE_FACTORS A498_DMSO_R1 A498_DMSO_R1_042022QAC7 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Batch=R1; RAW_FILE_NAME=A498_DMSO_R1_042022QAC7.wiff SUBJECT_SAMPLE_FACTORS A498_DMSO_R2 A498_DMSO_R2_042022QAC8 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Batch=R2; RAW_FILE_NAME=A498_DMSO_R2_042022QAC8.wiff SUBJECT_SAMPLE_FACTORS A498_DMSO_R3 A498_DMSO_R3_042022QAC9 Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Batch=R3; RAW_FILE_NAME=A498_DMSO_R3_042022QAC9.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1RW_R1 UMRC2_1A1RW_R1_030817QSM10 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC2_1A1RW_R1_030817QSM10.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1RW_R2 UMRC2_1A1RW_R2_030817QSM11 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC2_1A1RW_R2_030817QSM11.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1RW_R3 UMRC2_1A1RW_R3_030817QSM12 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC2_1A1RW_R3_030817QSM12.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1WT_R1 UMRC2_1A1WT_R1_030817QSM7 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC2_1A1WT_R1_030817QSM7.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1WT_R2 UMRC2_1A1WT_R2_030817QSM8 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC2_1A1WT_R2_030817QSM8.wiff SUBJECT_SAMPLE_FACTORS UMRC2_1A1WT_R3 UMRC2_1A1WT_R3_030817QSM9 Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC2_1A1WT_R3_030817QSM9.wiff SUBJECT_SAMPLE_FACTORS UMRC2_BFP_R1 UMRC2_BFP_R1_030817QSM4 Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC2_BFP_R1_030817QSM4.wiff SUBJECT_SAMPLE_FACTORS UMRC2_BFP_R2 UMRC2_BFP_R2_030817QSM5 Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC2_BFP_R2_030817QSM5.wiff SUBJECT_SAMPLE_FACTORS UMRC2_BFP_R3 UMRC2_BFP_R3_030817QSM6 Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC2_BFP_R3_030817QSM6.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg4_R1 UMRC6_1A1sg4_R1_110822RACND4 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC6_1A1sg4_R1_110822RACND4.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg4_R2 UMRC6_1A1sg4_R2_110822RACND5 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC6_1A1sg4_R2_110822RACND5.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg4_R3 UMRC6_1A1sg4_R3_110822RACND6 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC6_1A1sg4_R3_110822RACND6.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg5_R1 UMRC6_1A1sg5_R1_110822RACND7 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC6_1A1sg5_R1_110822RACND7.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg5_R2 UMRC6_1A1sg5_R2_110822RACND8 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC6_1A1sg5_R2_110822RACND8.wiff SUBJECT_SAMPLE_FACTORS UMRC6_1A1sg5_R3 UMRC6_1A1sg5_R3_110822RACND9 Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC6_1A1sg5_R3_110822RACND9.wiff SUBJECT_SAMPLE_FACTORS UMRC6_sgCON_R1 UMRC6_sgCON_R1_110822RACND1 Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA Batch=R1; RAW_FILE_NAME=UMRC6_sgCON_R1_110822RACND1.wiff SUBJECT_SAMPLE_FACTORS UMRC6_sgCON_R2 UMRC6_sgCON_R2_110822RACND2 Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA Batch=R2; RAW_FILE_NAME=UMRC6_sgCON_R2_110822RACND2.wiff SUBJECT_SAMPLE_FACTORS UMRC6_sgCON_R3 UMRC6_sgCON_R3_110822RACND3 Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA Batch=R3; RAW_FILE_NAME=UMRC6_sgCON_R3_110822RACND3.wiff #COLLECTION CO:COLLECTION_SUMMARY Cell-based experiments were done under an institutionally approved IBC protocol CO:COLLECTION_SUMMARY (Cleveland Clinic, 1907; PI: Chakraborty). A-498 (RRID: CVCL_1056) cells were CO:COLLECTION_SUMMARY obtained from American Type Culture collection. UMRC-2 (RRID: CVCL_2739) and CO:COLLECTION_SUMMARY UMRC-6 (RRID: CVCL_2741) cells were obtained from Dr. Bert Zbar and Dr. Marston CO:COLLECTION_SUMMARY Linehan (National Cancer Institute). All cells were maintained in Dulbecco’s CO:COLLECTION_SUMMARY Modified Eagles Medium (DMEM) (Life Technologies 11995073) supplemented with 10% CO:COLLECTION_SUMMARY Fetal Bovine Serum (FBS) (Life Technologies 10437-028), and 1X CO:COLLECTION_SUMMARY Penicillin-Streptomycin (Life Technologies 15140163). UMRC-2 and UMRC-6 cells CO:COLLECTION_SUMMARY stably expressing cDNAs or sgRNAs, respectively, were generated by lentiviral CO:COLLECTION_SUMMARY infection followed by selection with Puromycin (2 µg/mL) or Blasticidin (10 CO:COLLECTION_SUMMARY µg/mL), as appropriate. All cells were grown at 37°C in 5% CO2. For CO:COLLECTION_SUMMARY pharmacological studies using A-498, these cells were cultured in Human CO:COLLECTION_SUMMARY Plasmas-like Media (HPLM) with 10% Fetal Bovine Serum (FBS), and 1X CO:COLLECTION_SUMMARY Penicillin-Streptomycin and treated with a sub-lethal dose of Cmp 3e for several CO:COLLECTION_SUMMARY days prior to collection. Upon collection for metabolic studies, cells were CO:COLLECTION_SUMMARY washed with normal saline (0.9% NaCl) and metabolites were extracted using 80% CO:COLLECTION_SUMMARY MeOH on dry ice. CO:SAMPLE_TYPE Kidney cancer cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY For genetic perturbation studies evaluating loss of SLC1A1, knock-out was TR:TREATMENT_SUMMARY achieved by using CRISPR-guides directed towards SLC1A1 (1A1sg4 and 1A1sg5) and TR:TREATMENT_SUMMARY compared to non-targeting guides (sgCON). For genetic perturbation studies TR:TREATMENT_SUMMARY evaluating the functionality of SLC1A1-R445W mutant, cells were generated TR:TREATMENT_SUMMARY over-expressing wild-type (SLC1A1-WT) or mutant (SLC1A1-R445W) SLC1A1 and TR:TREATMENT_SUMMARY compared to control BFP (blue fluorescent protein; BFP) expressing cells. For TR:TREATMENT_SUMMARY studies evaluating the consequence of pharmacological inhibition of SLC1A1, TR:TREATMENT_SUMMARY cells were cultured in HPLM and treated with either SLC1A1-inhibitor (Cmp3e) or TR:TREATMENT_SUMMARY control (DMSO). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY i) Change the medium of the cell plate(s) 2 h before metabolite extraction. ii) SP:SAMPLEPREP_SUMMARY Aspirate the medium completely. iii) Put the plates on dry ice and add 4 ml of SP:SAMPLEPREP_SUMMARY 80% (vol/vol) methanol (cooled to −80 °C). iv) Incubate the plates at −80 SP:SAMPLEPREP_SUMMARY °C for 20 min. v Scrape the plates on dry ice with cell scraper. vi) Transfer SP:SAMPLEPREP_SUMMARY the cell lysate/methanol mixture to a 15-ml conical tube on dry ice. vii) SP:SAMPLEPREP_SUMMARY Centrifuge the tube at 14,000g for 5 min at 4–8 °C to pellet the cell debris. SP:SAMPLEPREP_SUMMARY viii) Transfer the metabolite-containing supernatant to a new 15-ml conical tube SP:SAMPLEPREP_SUMMARY on dry ice. ix) Add 500 μl 80% (vol/vol) methanol (−80 °C) to the pellet in SP:SAMPLEPREP_SUMMARY a 15-ml tube and vortex for 1 min at 4–8 °C. x) Spin the tubes at 14,000g for SP:SAMPLEPREP_SUMMARY 5 min at 4–8 °C. xi) Transfer the supernatant to a 50-ml conical tube on dry SP:SAMPLEPREP_SUMMARY ice (from Step 1D(viii)). xii) Divide and transfer 4.5 ml of total extraction SP:SAMPLEPREP_SUMMARY buffer into three 1.5-ml microcentrifuge tubes (1.5 ml in each tube). xiii) SP:SAMPLEPREP_SUMMARY SpeedVac/lyophilize to a pellet using no heat. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Prominence UFLC System CH:COLUMN_NAME Waters XBridge Amide (100 x 4.6mm,3.5um) CH:SOLVENT_A 95% water/5% acetonitrile; 20 mM ammonium hydroxide; 20 mM ammonium acetate CH:SOLVENT_A (pH=9.0) CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT Gradients were run starting from 85% buffer B (HPLC grade acetonitrile) to 42% B CH:FLOW_GRADIENT from 0-5 minutes; 42% B to 0% B from 5-16 minutes; 0% B was held from 16-24 CH:FLOW_GRADIENT minutes; 0% B to 85% B from 24-25 minutes; 85% B was held for 7 minutes to CH:FLOW_GRADIENT re-equilibrate the column. CH:FLOW_RATE 400 μL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Some metabolites were targeted in both positive and negative ion mode for a MS:MS_COMMENTS total of 311 SRM transitions using positive/negative ion polarity switching. ESI MS:MS_COMMENTS voltage was +4950V in positive ion mode and –4500V in negative ion mode. The MS:MS_COMMENTS dwell time was 3 ms per SRM transition and the total cycle time was 1.55 MS:MS_COMMENTS seconds. Approximately 9-12 data points were acquired per detected metabolite. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Total Ion Counts MS_METABOLITE_DATA_START Samples A498_Cmp3e_R1_042022QAC10 A498_Cmp3e_R2_042022QAC11 A498_Cmp3e_R3_042022QAC12 A498_DMSO_R1_042022QAC7 A498_DMSO_R2_042022QAC8 A498_DMSO_R3_042022QAC9 UMRC2_1A1RW_R1_030817QSM10 UMRC2_1A1RW_R2_030817QSM11 UMRC2_1A1RW_R3_030817QSM12 UMRC2_1A1WT_R1_030817QSM7 UMRC2_1A1WT_R2_030817QSM8 UMRC2_1A1WT_R3_030817QSM9 UMRC2_BFP_R1_030817QSM4 UMRC2_BFP_R2_030817QSM5 UMRC2_BFP_R3_030817QSM6 UMRC6_1A1sg4_R1_110822RACND4 UMRC6_1A1sg4_R2_110822RACND5 UMRC6_1A1sg4_R3_110822RACND6 UMRC6_1A1sg5_R1_110822RACND7 UMRC6_1A1sg5_R2_110822RACND8 UMRC6_1A1sg5_R3_110822RACND9 UMRC6_sgCON_R1_110822RACND1 UMRC6_sgCON_R2_110822RACND2 UMRC6_sgCON_R3_110822RACND3 Factors Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Sample source:A498 cells | Genetic Perturbation:NA | Treatment:Cmp3e Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Sample source:A498 cells | Genetic Perturbation:NA | Treatment:DMSO Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-R445W | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:SLC1A1-WT | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Sample source:UMRC2 cells | Genetic Perturbation:BFP | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg4 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:SLC1A1sg5 | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA Sample source:UMRC6 cells | Genetic Perturbation:sgCON | Treatment:NA 1-Methyl-Histidine 1543875.007 2184488.448 185247.6588 1485527.668 1201812.301 219938.4796 205533.7209 133145.915 340714.3427 148854.0362 184581.9743 462402.8714 300978.4942 330731.2389 349041.5409 629513.708 1117511.11 878242.6764 549290.7769 591860.0194 911646.5287 1501509.25 1135556.883 1051973.625 1-Methyladenosine 4177.526411 1667.118516 1684.737041 3367.473891 4132.294047 4232.914359 12756.5857 4232.915782 9085.251801 22149.71299 18912.78521 8219.038549 9044.800065 13627.4686 46027.4002 31872.58581 55815.50166 1,3-diphopshateglycerate 700649.3131 777505.0346 544579.6918 449825.5139 460632.8952 115119.6158 10444.70697 11214.63627 54923.634 6809.667475 6678.667121 15713.14631 23472.46987 48184.72923 32224.43071 101586.1315 120647.2013 87335.56491 107404.1438 105152.6777 135874.9812 100759.9292 206888.5465 201492.6455 2-Aminooctanoic acid 2615689.37 2911954.09 163315.1739 2618387.329 2526412.126 271969.5494 4954876.803 3136105.089 6080790.517 3156164.132 2917067.579 5487454.195 4568864.129 5070156.295 6461460.048 3538108.322 3376263.099 5011228.078 3466954.393 3265228.508 4338475.574 9728471.656 9448927.53 9349441.789 2-dehydro-D-gluconate 165863.8216 163584.2785 49783.33315 184268.8019 146044.0088 77325.56988 11834.36601 10989.94705 12678.79658 4227.090064 8449.312371 10987.41684 16903.1614 20283.42271 26243.29696 8245.425272 20179.44352 16445.32303 6576.158242 8220.888952 14800.20502 16442.72573 22175.95046 27955.05285 2-deoxyglucose-6-phosphate 53894.24832 55022.32492 32088.28393 70932.39468 103713.3558 73842.26943 101445.8045 69858.98594 160673.7838 74356.58277 60905.69251 208362.2694 85044.51484 126788.3193 148482.4098 14793.45911 15376.37045 9202.262938 5751.417357 12328.53291 7528.482212 8307.688122 16283.57228 19621.72298 2-Hydroxy-2-methylbutanedioic acid 800915.6017 768857.5224 603882.0605 1070413.958 713217.1078 570061.394 242353.9227 196080.2233 309490.3181 156017.6805 159944.1898 244539.2141 235657.6623 238088.782 374941.4236 76052.35 67918.89524 67545.48066 79744.16829 63417.31928 60957.12854 145770.0486 145211.1379 172581.8675 2-hydroxygluterate 3364695.558 2495787.239 871861.9851 5148942.655 3685983.258 1804097.818 1344145.259 1396273.96 1806212.849 1341001.761 1253630.261 1590851.16 4208349.827 4050004.78 3985285.395 2-Isopropylmalic acid 63264.7724 84855.44888 55155.30715 71407.6814 107643.6372 49905.51447 237961.5512 239136.015 287322.2444 257403.9952 254503.6963 282224.5286 275629.9792 243164.9812 341197.4147 111748.0023 110311.3973 93012.57517 126506.0007 135688.7416 88320.49152 198188.4021 224368.164 226994.7672 2-keto-isovalerate 3061965.965 2550743.497 1026481.64 3807427.613 2366274.974 1256638.499 3873002.41 3134283.263 4821552.881 3271354.495 3259434.905 4794615.086 3669044.089 4248123.449 4875698.499 259987.8393 244166.7814 324696.7644 288384.1355 209767.6256 254474.7987 1062143.146 1037543.845 1111265.654 2-ketohaxanoic acid 87612.64352 82884.6683 109853.028 183383.4511 83640.45035 119889.593 48781.23938 31433.8224 61072.53702 42416.40564 26234.97225 57489.38939 43872.0525 34658.72737 85307.36805 21376.58126 18086.22479 23023.69617 9007.999059 23021.42561 20546.84405 57501.81393 60025.73869 59328.65617 2-oxo-4-methylthiobutanoate 22415.9878 34207.51352 20943.03153 40116.6957 65498.80333 16746.72923 5901.159661 9043.032626 5752.338915 13992.01797 3286.795033 3288.053199 18944.32811 10188.65177 13256.89057 17264.36228 2-oxobutanoate 285046.0666 197933.9193 224811.1333 328715.6815 182234.3144 290111.7569 92275.14411 110629.6551 110485.6475 156109.6124 101645.3165 154392.7407 76478.92575 122090.0132 157902.7879 15592.88252 22313.28455 15645.62441 19730.00671 24398.5828 11505.36427 42708.88132 46868.98034 50978.89224 2,3-dihydroxybenzoic acid 682850.6858 515084.2464 1124256.492 1552791.875 1402601.358 545338.2728 186124.1487 177262.3961 210245.2395 175428.8604 145816.1947 174819.404 200564.1927 245031.6881 182464.923 579250.29 542003.0935 452437.0975 495067.3654 518708.6879 478492.7066 488856.0376 414557.0876 480454.7614 2,3-Diphosphoglyceric acid 776803.5631 685816.7767 331345.6447 431741.5897 332654.3078 112642.3677 57351.32316 29019.66386 17336.38174 20319.2147 17337.88249 35760.80889 20029.40219 63401.00477 151447.3025 212689.0753 201191.206 70379.45831 152429.0279 244827.4994 161452.1171 568970.6624 442064.7651 3-hydroxy-3-methylglutaryl-CoA-nega 3-hydroxybuterate 270052.1393 202908.41 175328.5133 255754.4413 216954.5493 63655.03269 26137.43461 11246.17886 16162.32757 30230.27671 18798.28835 6605.836632 32720.14656 31499.08882 4931.235569 3288.035972 5754.761052 4936.994356 3-hydroxybutyryl-CoA 3-methylphenylacetic acid 482881.5977 310972.9215 329473.8919 346181.8146 215930.6186 318841.122 8597.869625 12698.52635 10832.95247 7609.159796 9294.38347 5931.378875 6480.518539 7594.893132 13606.17102 23725.99233 18914.52976 14334.91661 20574.95852 23838.68736 45223.80959 30814.43332 40986.72766 3-phospho-serine 37688.15199 42180.94153 19566.00291 66292.874 30868.22869 23408.02749 99125.6963 101379.0344 149289.7026 74466.30876 58236.04335 129862.3627 99745.3038 138297.5153 145841.6564 193408.7888 368696.6411 368681.2847 204319.6463 257446.168 262911.1536 449605.9351 413065.5815 407448.0467 3-phosphoglycerate 29479059.94 22198623.64 9022812.618 23890870 18527952.39 6400772.103 463342.9141 310292.3462 629418.0849 283650.9631 264908.2043 563451.0262 489033.5319 656111.7503 1026782.255 991091.3059 1101579.722 1706985.3 996171.766 996208.1401 1596047.614 2250314.666 2478944.227 2945393.601 3-S-methylthiopropionate 2541.546366 1700.453334 3370.769863 1687.082198 4-aminobutyrate 537285.8358 674998.1268 121973.5913 1061562.838 1853022.929 452550.0635 152992.1794 152879.0201 295860.1538 87048.17913 77763.83481 151271.8219 229871.0026 222896.152 327574.7505 507130.1733 486331.6625 897747.7838 477317.9843 458292.3488 729295.4482 1338593.417 1200828.19 1227549.334 4-phosphopantothenate 117122.2034 425038.3177 35849.14461 127868.0127 372654.305 11841.11067 7389.715424 23842.71764 9853.851364 13161.43448 5766.522262 11508.76608 19620.48183 7397.616531 13090.74208 4-Pyridoxic acid 19709996.21 22497900.66 7764101.363 23006956.86 15807366.4 5645477.192 4559.107056 21736.81635 12109.33132 6465.161694 9803.720036 6361.755546 47141.79553 53489.3976 44112.56682 60722.86463 31124.65387 41416.57556 89953.74359 97080.68374 95283.4678 5-methoxytryptophan 9165.977443 6764.184539 3366.725842 4210.604808 2755.835283 5055.409656 9960.835144 15621.49574 18971.26983 1645.331765 8321.807764 8946.237774 24667.95407 27046.8474 44400.39521 5-methyl-THF 33677.40131 30720.08807 9259.425277 35359.82659 24426.44133 8418.728442 12393.06455 16211.13684 6150.453111 10873.51391 6760.336967 11838.90912 6763.727087 15195.86639 9312.768957 92108.71896 85522.95934 82216.94809 31065.44282 87979.75501 125819.8482 101149.632 78939.49755 92099.2902 5-phosphoribosyl-1-pyrophosphate 1573686.824 2291649.022 301344.6639 1753849.023 4023125.048 507411.7312 12676.28797 6760.31503 6760.649952 5071.621908 16904.08753 13586.36444 25089.19178 242846.1598 330775.2906 263654.7912 390144.4746 177797.0742 254162.7798 185832.6758 179900.9487 198539.8991 6-phospho-D-gluconate 2262075.354 585922.4197 558222.0769 1522248.751 1161618.255 289836.5541 349350.9339 205163.8357 387005.7637 172501.6161 197298.3412 374890.3582 375908.2966 439177.34 585054.8734 106585.6652 139907.9635 118316.0744 120558.1985 84184.42837 140523.5645 386545.7284 203455.7778 236478.6532 7-methylguanosine 4208.07861 11787.71359 2535.508139 3369.076548 1681.65705 9334.298644 4930.901883 2466.553489 3288.255534 6576.284501 8263.466409 7397.586753 3287.496687 20468.98561 7,8-dihydrofolate 4208.150747 2525.050214 5911.475662 5892.767045 4227.081007 8217.878568 7398.769097 2466.148155 7394.170994 a-ketoglutarate 64022.29465 86323.04334 102274.262 98161.49835 82665.63242 175911.7846 244604.1952 207362.2802 307329.9019 248676.9596 238048.6561 434371.9999 289482.0384 312799.2073 352672.5976 168294.7085 212110.8888 228551.3411 209627.3321 219658.7046 211629.7131 522368.251 510686.9115 485079.5094 acadesine 5892.934568 5895.09037 17679.9494 3324.942567 9259.615261 4227.10789 3380.085393 12317.28287 4942.885655 10671.26275 44117.95759 9750.014868 5633.917749 45125.41201 9032.690115 11513.43226 acetoacetate 207865.1204 198308.5246 150796.46 319367.4597 207901.3222 270194.7574 156875.6251 115739.6277 169669.5095 131987.8368 75035.64376 174351.4151 152092.7189 146128.5727 150091.456 19732.63561 21249.72375 14797.82873 28704.02342 18087.48501 21381.16395 41088.50854 50155.37138 45175.26236 acetoacetyl-CoA-nega acetoacetyl-CoA-posi 18524.05795 43781.23775 1666.656304 14286.39285 31983.08713 2558.264835 4161.921782 6555.239748 7397.723438 4930.933223 3216.963279 7089.053135 19694.39824 13129.94238 acetyl-CoA-nega acetyl-CoA-posi 560125.3849 812111.7018 26277.0927 626185.9904 548865.6709 33331.4963 12825.93483 44427.53521 30586.67134 11347.23771 13319.9641 48336.52781 25161.55599 139650.138 177741.1346 Acetylcarnitine DL 88071020.07 98569281.07 114335695.8 98862566.3 101437364 122324024.1 5730.398555 53897650.77 94181688.03 54185405.41 50264186.57 85139415.73 76535832.2 89023417 102724837.9 60133915.5 76992808.33 115756817.1 67045901.05 65398708.83 101172521.5 135375176.2 128709232.9 137485722.1 Acetyllysine 532418.0962 652694.1122 123740.4561 527338.8592 585788.6969 104393.3504 69495.03631 26517.13566 31630.72964 37219.9399 36772.2941 121615.2211 36549.10913 82504.00904 1515825.579 1046972.693 1529619.829 1517867.308 1349528.596 1282206.234 2528802.438 3027807.544 2982972.487 acetylphosphate 1535631.188 654611.0188 983476.0218 2047554.497 1715952.077 696008.4605 35007.5091 33395.00935 21941.37291 18227.91269 19087.81402 19739.34461 15736.27341 26988.94496 38674.79195 282473.4259 276273.6067 308225.2012 205785.9398 214530.3116 319387.4414 257081.2916 445980.3714 658302.9809 aconitate 593061.4568 566013.9025 421697.5699 916867.0624 520678.0719 525583.6763 251523.5391 260746.7235 275962.7134 199484.7645 206572.3968 297560.8993 267693.6788 205207.889 343055.2276 42191.64832 62995.03058 44511.00701 57616.72888 34487.71753 38998.77219 39549.3281 57263.7412 57348.96148 adenine 12139017.11 13045339.33 4318580.963 13067182.07 11971989.12 6631309.854 964531.2632 691860.4979 1167531.244 716737.115 664154.2523 1268945.169 1028757.527 1067547.669 1223926.291 20395683.78 28527990.99 20897227.23 18914782.47 17673657.42 24916278.71 20625096.14 30481433.52 35575536.91 adenosine 75441.63123 99913.49149 82298.32136 53275.89266 153168.4434 19313.88938 238353.6377 160179.5808 449826.73 209945.2073 191587.9926 292472.704 288179.8616 245833.6126 512055.5785 1924212.744 1971594.627 2291000.429 1007442.152 1090745.722 2750656.837 4712967.075 1367961.846 3400123.304 adenosine 5-phosphosulfate 181014.0042 111669.0271 82175.42716 309849.6136 192925.8771 51226.41379 3365.901333 37005.794 85519.775 36998.04872 38648.10651 38636.47999 63320.68654 69083.08293 128304.2982 130770.6827 Adenylosuccinate 862099.5675 1532336.102 1192196.206 719018.2766 971583.1438 2015440.765 39453.083 51655.18604 55917.92501 27957.298 36182.66748 46871.48112 156273.6835 119254.0331 132415.6353 ADP-D-glucose 51358.30714 39778.23791 5893.728111 131371.7302 56407.63219 4933.428219 13177.15349 13154.14735 6578.570446 4933.334986 6602.204331 27950.09859 22223.96887 ADP-nega 21217160.24 12621763.16 8683985.731 27146137.49 19375209.46 5991515.684 622073.4669 381565.9688 651700.9732 297954.8351 278949.3253 475458.309 518014.5438 726611.112 777670.6447 1248266.206 1970087.638 1550614.629 947908.9247 1253248.45 1676102.197 2404907.741 5074852.32 5732924.911 alanine 31961841.84 32297724.79 17306314.84 32125313.07 32741768.03 21662741.21 6486559.103 4106188.454 7992803.945 4711334.571 5109085.597 9169216.49 8018886.927 6842307.659 9979277.292 9069852.202 9483138.571 11257754.3 8840769.395 10176154.07 10971545.18 20097655.83 17820259.65 17978111.67 allantoate 90369.58915 113886.815 69024.85576 159162.9851 127962.0804 114436.7371 276391.7771 210464.322 344021.7498 229905.5463 203690.8358 445447.9121 403196.588 393000.2519 643885.3646 61800.76483 67431.20495 84703.0345 68257.73356 52626.39554 63803.53512 199053.4847 199049.9595 183423.8747 allantoin 1234533.449 676188.8379 611926.0955 827620.3006 365089.8869 129133.1959 11746.48801 10930.72035 21900.96655 15249.15636 7458.876215 17749.50037 10136.24199 19453.91331 24513.33004 32887.11533 54962.93739 57566.2017 32891.17706 57560.40442 71543.28789 109376.8082 116722.8618 122542.2799 Aminoadipic acid 921037.6177 850893.5142 429440.1222 827179.0302 997486.6802 356411.3755 16748.89115 13170.67016 36651.80895 45809.64824 94320.38803 24985.27806 43289.18216 38424.6874 311641.7333 252989.2132 292311.7234 324271.3172 260954.378 269630.4186 406112.5787 467402.2923 476070.0414 aminoimidazole carboxamide ribonucleotide 3353.503944 3369.430436 8418.327146 7580.05342 4210.271914 6762.8745 6755.945713 5040.716271 8457.127907 4224.613783 10989.95012 12326.70142 10679.92246 20522.41089 9046.778441 4932.906739 7450.750609 23023.81129 18042.09178 34527.3151 AMP 5977906.725 5223889.665 3523136.955 5675782.646 6321250.065 2195131.639 1693422.92 1530981.096 2260796.542 1435608.508 1252351.164 2249172.335 1651118.801 1964656.152 2026282.189 3865033.728 5524246.905 6489038.651 3695222.127 3696857.362 5820542.358 7964139.315 13488419.01 16968494.31 anthranilate 39736.35655 24334.1381 69256.5399 67817.83097 94811.67304 28112.88864 45821.90182 45368.94355 72397.79466 61123.97605 71176.88668 75899.4995 41422.3029 48901.86149 54522.64199 7184.949357 3266.840772 3740.609144 10348.41602 13812.22668 arginine 129627.8734 133735.2553 38718.67221 131917.6955 118524.136 38893.34334 2691906.357 1853269.914 3683453.899 2066421.886 2046670.585 4055927.545 2730899.196 3183757.189 3823466.787 41615604.53 35942076.52 53895930.5 53376321.38 51304895.11 42564040.23 49873045.09 54649878.98 56483599.37 arginosuccinic acid 9988.916886 22582.59088 9087.047524 20725.7615 21824.45925 11175.19738 341471.2584 216233.1028 497531.2861 285666.5305 291618.9515 570859.7627 321790.1131 423341.7898 457126.6681 2098312.904 2025633.59 2875858.35 2157313.04 1949350.056 2330814.219 4029041.375 3347104.905 3333642.768 Ascorbic acid 73445.80759 50289.18676 45466.39585 54842.25942 49876.68948 36688.10568 18589.62409 14264.52826 20285.80589 22076.42418 16061.22982 14310.47165 14373.01789 17716.57154 10088.21541 10755.81115 11709.78036 11402.31107 10763.62391 4908.311421 7262.683869 10514.60229 6524.617171 asparagine 1538912.314 1144099.055 1639798.51 2021168.945 1187660.679 1665194.704 215756.07 189637.3218 311350.4083 216876.43 182397.7597 338906.1647 193283.0733 279743.653 423949.1213 392136.3012 399788.2491 587660.3907 422153.7251 403032.0835 567913.6703 482102.088 466147.323 455745.0058 aspartate 4364726.934 1608127.333 467964.4033 3180976.085 1490191.614 1239246.35 20023725.9 13175379.04 20383821.5 17465297.1 20196556.98 29224322.01 16740198.62 18872039.89 21576931.56 4177047.463 4099145.038 5178794.242 3928344.189 3921278.582 4897760.391 10919230.69 11050947.42 10554819.52 ATP-nega 141686893.5 148179444.1 73122927.13 151076390.9 135699023 56136500.06 5561520.326 3365346.342 4653088.616 2417750.453 2039156.962 4074546.608 4133129.531 4789583.459 5406008.366 9726726.22 15570222.13 13207914.34 8174342.809 10985372.38 13343663.87 13128114.99 24520864.19 24733321.01 Atrolactic acid 66661.54975 61300.83762 52459.88434 34496.44278 61982.38079 52029.08308 4183.004065 5057.264628 9212.88212 5917.923057 11511.26805 4935.133833 11512.23466 7400.147982 7396.222735 5754.800382 12333.4367 11509.84194 betaine 38354750.47 30276725.25 26468267.95 41425939.4 31789828.09 27809267.78 137682349.1 133141601.9 146730607.1 133334597 142541626.3 124811086 139297290.9 136241318.7 138997713.2 203147784 160842558 220295762.5 190079906.2 171451764.1 228694138.5 342772535.3 273490201.1 299498901.5 betaine aldehyde 532719.5611 457732.4634 232789.2446 597504.1127 550515.5589 309556.9047 201833.4474 123383.3288 241705.2107 178401.9553 142187.6672 268099.0656 188801.4689 191228.9687 335986.4221 1250647.824 1276271.751 1339244.566 1379179.788 1294006.042 1554364.376 1690606.316 1726111.332 1863840.375 biotin 152635.0507 87022.32483 217933.5889 205303.7847 703076.5234 300545.2752 179950.511 139343.4682 192826.9179 83378.53153 131908.1054 99169.15228 159925.6094 160351.5943 149956.8831 3035035.605 2318494.07 2602763.928 2624197.514 2190360.453 1800941.981 3958023.172 3075653.592 3458964.138 butyryl-CoA Carbamoyl phosphate 160130521.6 152547920.3 37839830.72 125250531.3 95004420.2 13514182.13 238863.3318 199472.4994 304915.0681 139699.0817 96040.77533 181375.9538 273527.8696 276164.4584 314661.3423 14432261.2 15573088.05 19940669.55 15472210.47 15214482.62 18914933.38 21335356.29 23204549.64 21959655.11 carnitine 102309406.3 96343168.83 61663590.73 104178107.2 100678840.2 77135764.39 77209617.54 58747369.44 91233675.14 54270888.03 56223068.37 86501248.4 78719879 73423770.29 91015285.7 108801994.7 97855737.71 106667940.1 105167490.8 104541204.5 100902941.6 131332099.2 136761581.9 135108964 CDP-choline 218060.9921 189423.4685 25258.91375 61459.147 71565.89439 28626.76526 32891.63728 32147.51507 25492.94551 29600.01504 26314.40315 29599.62607 55917.16598 47702.14446 65786.09872 CDP-ethanolamine 590119.7579 549759.4281 282903.9141 416751.6389 369628.7976 98499.72632 5918.424896 122563.0378 104291.2137 122571.1549 127482.3044 109408.4323 105263.3602 278833.5645 231753.6325 242683.3955 CDP-nega 514549.254 542260.5016 509138.665 515606.4096 604759.8059 207580.9309 7609.687308 12658.71202 9272.513182 283142.0323 599268.4563 591484.3097 485653.7072 421159.9913 481115.3149 419088.691 721647.9493 891219.0463 Cellobiose 5890.177476 1684.601725 1684.81621 1683.167889 1685.457657 11834.23578 6760.09635 7155.807962 6595.9989 15576.09342 5836.347359 11533.49489 10013.02417 16705.90361 16418.8048 9111.717794 cholesterol 1881794.037 2403736.039 25260.66868 2342282.731 3811576.162 29121.02061 29581.68321 33811.7964 16903.23315 16058.89061 10987.44453 14370.33933 23654.15354 32961.99823 10961.48137 258128.121 361338.7839 291718.5775 302348.8076 248801.696 322958.6383 291042.1133 324025.7431 371876.6883 cholesteryl sulfate 3827201.067 2238801.35 527858.5835 2648557.693 4402809.759 534922.146 29584.66485 27889.44398 40563.21934 34653.09114 19441.38415 41418.91455 23666.03919 35503.13784 32118.27835 563427.8502 599355.9782 572631.1826 507151.0357 500038.2228 551492.4845 235676.8937 498213.1217 820651.4305 Cholic acid 2525.842638 6331.147058 2466.697036 choline 107730233.4 135332249.3 53431677.94 110264109.1 149224641.5 36863607.29 15276366.04 13502433.04 16197349.67 17355641.73 14574236.61 12240903.28 21900644.65 22960522.5 23183911.66 Citraconic acid 1759494.445 1782672.973 1349910.182 2640929.097 1664283.383 1402323.216 575495.022 356699.8642 570059.8918 370478.4776 360727.9418 488123.0897 431220.2355 475117.7802 622157.2152 220792.4076 249821.8721 246834.0771 237635.6096 226791.2704 216696.5369 390162.6405 373558.819 396160.7538 citrate 28215762.44 30606825.4 23770137.75 47072304.07 32567308.68 26103755.48 3634811.66 2284464.436 4673572.198 2182469.646 2007346.028 4061072.078 3163481.902 3574878.387 5067887.456 1228310.189 1479836.703 1431523.495 1577876.188 1211138.184 1079365.189 1205173.667 1307865.322 1111319.999 citrate-isocitrate 61530730.26 60229476 54661327.7 89413156.38 82528769.64 55650569.24 8860429.335 5353520.228 10552008.49 4769144.055 4897639.097 9420029.726 8317916.82 7676427.818 12004033.9 4312015.371 5423909.056 5345614.814 6197008.869 4297529.061 4278586.564 4249665.645 4433766.502 4548236.09 citrulline 6781.505671 8803.417704 81303.42241 80369.76847 165688.2755 77721.81305 73624.72795 120520.1337 65079.91634 109030.264 85268.04122 1502974.446 1327807.032 1867347.164 1904802.312 1978125.059 1582098.851 1761855.623 1970268.694 1911768.501 CMP 2575700.425 2445657.404 1632553.507 2650328.509 1840471.814 824251.4226 322618.5071 293118.2084 397492.8559 235513.4766 212113.9871 386823.997 330314.4343 311803.732 385248.1534 1787192.263 1902057.931 2170297.392 1732066.975 1850377.813 1907950.244 3701002.369 3586106.132 3916163.086 coenzyme A-nega 3380.133989 coenzyme A-posi 411536.5715 496606.1147 606029.2986 320115.209 297938.8314 434084.5991 147228.9602 133083.5774 147521.838 116812.4553 115614.6635 122719.6513 198338.7581 209401.7243 216647.4278 1019307.685 1369294.057 1314867.952 865278.3131 1060738.525 1603628.246 1106307.542 2553705.628 3110280.505 creatine 138096171.6 147496827 120667993.2 138823338.1 150658369.7 136702037.1 19169922.05 15134228.49 26374192.88 15848688.81 13397387.85 19448268.41 17973606.63 16572076.5 18688427.12 93764601.7 104869134.6 115912444.7 87467299.3 103401071.2 109902137.4 163518326.9 158578056.7 164198384 Creatinine 5276215.503 6633503.366 2839167.473 6042523.815 6675527.101 5218584.609 90106.2496 245925.4454 199857.0677 210568.5101 166817.086 236725.0567 273376.4495 245642.1976 105246.1996 2079867.355 2032729.575 2538983.272 1795758.633 2009321.159 2333191.62 3309400.323 3510596.361 3108912.033 CTP-nega 1647974.742 4183576.422 1599385.494 1431406.87 2756150.482 749455.1885 43100.27281 22824.15688 44799.85596 27857.47975 38878.87438 50711.28105 42272.71543 45637.02936 719190.8928 1479639.738 1759617.775 1009009.432 939827.0698 955186.2289 666750.0888 2581717.219 2201855.588 cyclic bis(3->5) dimeric GMP 1694.338258 3366.918916 2466.704037 cyclic-AMP 60169.24547 119647.2078 26472.13998 35767.63291 9299.1507 16221.99437 8461.91208 5924.136284 11077.97574 12573.43073 21402.25229 52555.9365 23057.19767 12454.62905 13534.99846 16915.43286 31491.24829 35100.47633 20766.58532 cystathionine 1166729.471 1231755.442 1877735.779 2219320.021 1917141.421 3298866.683 225691.944 103087.6081 210480.0007 113338.8387 108108.6512 296287.6653 167274.7361 184982.9245 293037.4099 1601277.889 1748952.924 2353441.028 1622667.285 1696126.421 2196688.613 6265069.308 5795760.543 5614970.491 cysteine 44514.57095 22675.63967 45936.99479 120846.8832 120166.9294 25948.57803 13549.54943 11759.28099 14422.60968 13478.10812 11207.17758 15253.64365 25310.76956 9592.451694 15284.99719 120511.7828 965902.4835 434608.2552 120782.5856 434034.0305 674362.338 467375.2243 372521.2546 649784.9484 cysteine sulfinate 4210.777545 4210.508005 1684.385336 1684.749541 Cystine 18171.93495 10194.30721 23670.74646 56671.37097 41290.26214 14240.92008 3382.649811 2533.653256 7607.470646 4223.960047 2687.287595 2759.740333 14584.36392 134233.612 32774.59884 13088.49401 44334.52086 62491.83648 143795.4837 32052.59823 76617.57512 cytidine 223784.9073 179966.6495 214678.8671 145665.7241 213256.4929 43794.91581 28732.83571 15595.59564 43984.65391 26196.63712 16053.14353 39755.39555 31596.97111 26177.83287 52439.37843 106113.1544 167549.9303 97049.23824 72191.45702 125846.122 158024.5872 89082.52533 99408.41382 122518.7604 cytosine 521226.5307 506034.2034 315308.8423 469026.2264 318102.9848 342298.7054 62756.69772 38810.76609 83998.16692 32599.77367 49440.91837 75783.57701 58865.06732 51924.46926 89573.88844 82078.21459 68142.66518 100585.8824 61247.52919 110396.917 132886.4691 396253.4079 303022.3308 120061.1229 D-erythrose-4-phosphate 980355.1568 572194.7499 525233.2576 645341.8283 672975.4881 237209.1798 36194.45539 18558.63357 33723.86131 15007.24576 20132.50136 39686.25555 27033.97149 23649.36453 38496.71703 169594.9966 279372.6777 239757.9225 165092.9694 141670.278 316974.9151 304722.0864 487390.033 659267.2033 D-glucarate 236545.0184 243832.0229 115486.891 368639.1619 276853.2256 113661.2422 25357.4584 10140.89774 21130.51173 8451.644532 7604.801474 21977.30713 27062.773 22842.65399 32118.60843 5754.840915 7400.308944 7397.616625 4935.800148 6576.068149 5756.934112 13973.8174 6578.570865 12333.49889 D-gluconate 1343848.335 2570576.815 1398208.503 2155392.499 1547716.617 1647974.221 476442.4106 281626.1406 390866.5319 147057.3006 233156.3966 423736.6536 431463.6213 500607.858 955629.6244 678963.7539 657603.0959 891631.6631 680216.0039 621018.183 835490.1679 941747.4909 885795.9302 886261.279 D-glucono-?-lactone-6-phosphate 334164.4493 81863.35827 127431.8072 210413.9003 75383.02425 76237.2491 34553.44538 6972.843364 34655.33205 6611.113496 13523.33865 41531.84662 21331.15536 26277.26325 46498.42788 29496.07836 17049.94841 27112.80877 14098.19633 9873.24857 22212.54355 67023.60388 36138.83467 23123.57952 D-glucosamine-1-phosphate 4208.548288 3367.06428 1684.982042 5895.522035 1684.824759 5064.300238 5068.997461 12674.92294 8463.751896 9500.848404 18993.53467 29694.46623 25911.57406 11335.31167 17244.96846 26318.57343 21390.76011 8213.186989 9013.950004 D-glucosamine-6-phosphate 27306.36276 26379.68587 7578.18013 23218.16627 11553.52208 23023.28844 37190.50239 21992.72655 30442.06266 38033.72877 24517.9843 44085.40667 65065.83835 49879.76841 75264.23473 4110.625954 8926.966697 23636.26131 8190.121212 6461.258699 18087.96417 17249.89751 24789.96924 37809.58425 D-glyceraldehdye-3-phosphate 1678027.775 909536.7987 2439371.799 933653.1538 707956.9036 1463307.915 353034.8933 238685.4856 468834.0113 248899.273 171847.9302 402413.2639 337729.8514 491310.9024 443916.5608 1602291.945 1610823.099 1576407.394 1485189.755 1492628.772 1707847.539 2521327.103 2551246.318 2748565.427 D-sedoheptulose-1-7-phosphate 2197737.539 1511983.708 702454.8062 7608906.682 7842131.363 566698.852 76853.33952 57349.26653 108976.771 38559.6643 39725.73706 69179.34973 113357.2576 83039.42605 218076.3583 245183.154 262268.0148 425824.0215 282181.4456 193709.99 344592.3358 504854.7537 505038.6917 453590.9064 dAMP 287830.5867 157342.5036 76615.5501 149863.8596 166449.2207 68913.10051 157078.1 85222.88458 154665.9555 83681.54841 77762.5329 180043.5715 169087.4142 163968.8887 180871.6207 298211.9834 256230.9331 316776.3764 282011.384 227237.3306 315661.8464 414300.3724 500595.6674 501658.4713 dATP-nega 339043.4413 503469.1669 623873.8552 455840.0855 591755.1796 367075.0576 20284.71713 8453.996713 21974.98237 11834.30085 5918.434531 15211.98165 26201.69266 23668.76319 26200.06659 16321.89716 31628.65562 35489.70282 33683.54771 18909.65296 44470.49797 36045.4897 69782.77879 68942.39167 dCDP-nega 39055.85684 63666.66017 59772.87952 71671.87992 56516.58535 34535.7073 5063.717882 8454.136338 15622.10979 31251.75843 23014.87173 14079.58514 9042.86325 15094.36614 42759.89931 56722.84464 70008.56021 dCMP 138924.7435 172588.7879 11788.05525 51263.57417 118694.1824 7577.033988 34648.95942 38038.74941 21205.95723 18594.68253 22010.84135 27931.05745 26908.99818 22835.86886 23569.40999 59229.34986 107950.362 106086.1046 116646.6784 76482.89475 85525.22581 121706.2985 132314.198 121856.1926 dCTP-nega 432001.5581 472195.4004 68150.59046 291310.4409 315379.082 33658.4852 8466.523155 10510.15924 23684.16766 16058.79751 21133.47335 21974.71172 27892.70658 21132.77843 43118.02299 34818.40744 52178.49779 74945.71473 36970.26434 35355.08803 46835.96472 69065.0681 118587.7034 121052.9188 dehydroascorbic acid 5891.881891 7558.699144 7577.31282 9258.867561 5053.714673 5892.733143 4222.500547 4199.896494 3950.034922 2535.822605 2482.46329 7604.776482 6762.039089 18102.2211 9758.631504 4081.444676 11492.11477 13948.08943 13976.52965 9857.361169 13978.73851 9040.563302 deoxyadenosine 2650.950315 23572.2589 5892.346251 30997.3502 23572.40413 5903.82779 5759.510053 8361.936205 9656.795781 4811.760061 10053.30379 9750.018655 12314.53519 8321.068127 18011.35735 Deoxycholic acid 3288.04449 7003.713633 11480.89805 deoxyguanosine 5888.648244 4200.264394 2522.030058 4211.140792 2525.977155 7606.893026 8982.0514 11840.9726 6747.036923 13519.11408 12661.50324 16035.8886 15221.30535 22739.53871 20033.72771 12208.32834 11967.02747 23506.57465 12389.11455 7309.348091 23425.10436 22089.68727 deoxyinosine 4213.351753 5889.812466 1684.26615 9298.438694 3371.858385 5585.618016 13123.95016 6578.076978 15621.68167 8196.643396 9043.535963 10561.95173 15497.76795 deoxyribose-phosphate 258156.4241 450436.2915 547873.6641 295844.7537 566782.6131 504717.6774 89588.76223 53693.7936 111568.1798 70156.60616 40574.76728 103080.6813 140268.5327 120789.3369 152996.8996 39254.52656 52199.51903 57839.39915 56009.47282 53450.10498 62323.45815 55666.19081 30363.90037 65005.07011 deoxyuridine 72424.08379 138836.4636 108509.7664 367118.1017 143987.1807 42104.62693 3288.080698 2466.084963 dephospho-CoA-nega 27210.864 44618.4609 5843.680557 4632.982173 9729.121248 9262.09554 5071.333299 7400.119651 7138.077348 11213.0582 2538.287175 4161.901695 9043.05103 5730.759935 8173.78737 5724.036932 dephospho-CoA-posi 6554.098372 11693.74694 7577.035224 15154.27253 16851.09853 10217.27539 4666.140609 9295.420765 4223.973501 7607.116516 7629.565451 5016.886598 39887.45596 18092.49514 6598.495429 24415.06692 26313.03617 24057.61627 15619.10237 5491.725687 dGDP-nega 20004737.25 12954588.03 9323197.422 27665208.72 19256874.75 5821797.027 686573.7736 442215.5111 665554.7476 356329.9589 314971.987 499197.4745 548659.0286 683026.7262 781557.4202 1121490.842 1898435.515 1706715.478 1020482.58 1193795.137 1697631.902 2395933.229 4392690.501 5990572.959 dGMP 32831.61623 17680.85774 2525.821859 17680.40798 25295.47599 4210.397755 15216.77787 11812.57577 6762.814005 6671.546665 9268.157667 10980.58216 16906.1046 9045.451764 13972.27176 4101.702793 4112.045702 8927.587551 19738.42198 10948.7576 dGTP 135926182.1 149686285.4 77378133.03 130278705.5 131087643.5 54060775.8 5611325.738 3276475.112 4401359.146 2439636.215 2039083.958 4063198.257 4273364.275 4959181.833 5237308.768 10131351.75 15316452.35 12448997.22 8814130.103 10820305.16 13109378.3 12848475.81 26647713.87 25051722.18 dihydroorotate 805130.4047 688131.121 515576.8078 771038.4018 770534.9297 665747.6336 9216.457867 26103.74714 10744.69773 100064.6517 17657.37933 17897.14616 19733.37781 629464.137 586400.8581 581825.0672 659422.8713 564444.6221 434901.6199 619243.149 681217.4647 691555.6339 dihydroxy-acetone-phosphate 4404694.1 4116828.84 2655708.16 5778237.5 5132612.567 2640239.023 326966.1143 326626.0552 507753.0337 218279.6442 244785.3983 414433.9794 356234.8439 439524.2413 489501.0813 1251246.429 1280172.494 1223754.451 1108351.983 961267.2824 1356659.028 2233826.963 2114053.591 2433988.259 Diiodothyronine 2525.726077 1684.680895 4517.43898 3288.289397 4109.532671 4135.226313 5752.278506 3212.141744 dimethylglycine 3962020.216 30092367.87 2099683.818 2987886.143 2346194.699 2476313.496 128965.9812 101235.1112 172114.4312 81184.35248 47182.46497 264381.819 52521.55683 78818.15454 206448.3887 1860829.047 1643049.494 1948531.671 2132945.456 1738408.722 1509083.078 2439777.063 2787025.321 2875812.858 DL-Pipecolic acid 21753272.5 16468166.6 14299530.27 41173709.39 26609530.95 24708798.66 55035172.92 37364856.96 62209125.48 50449843.97 44890014.43 79140741.23 50108023.51 62149814.17 62029716 93009717.96 93895641.99 109257118.1 91415201.24 100074456.8 110178606.4 200539741.8 188659040.3 184462015 dTDP-nega 277034.9945 197881.3838 119579.306 346898.1386 183226.5539 86619.26073 8452.546365 5063.191659 6844.1035 4236.976665 13521.40317 13523.14272 14358.01688 51291.13422 62066.59477 63680.6036 39082.74927 43790.91284 87992.92547 58978.66725 174330.4957 170796.1747 dTMP 69126.60222 64904.87092 5124.085038 63190.88968 40146.55235 2562.0311 20396.69588 32054.16707 12680.69492 7861.657931 16497.50642 22294.31089 41858.20457 29847.06547 28423.80792 412171.6861 304932.4387 580941.6152 349230.6191 352130.6936 522746.3366 904454.7064 890502.6192 873122.9175 dTMP-nega 63987.26145 42903.31349 21888.9757 57194.07029 52206.80945 22732.01052 17767.35926 6792.108279 13625.85379 8454.172464 7182.26036 13996.73991 6454.6183 9043.023437 17963.57774 24481.86836 8110.743104 5758.78338 13996.21931 38554.008 54965.60009 50865.34676 dTTP-nega 1659307.801 1429031.82 1331986.866 1147778.576 1272753.496 1176981.892 77765.91812 47337.7336 73551.34696 34634.65391 32971.90193 77778.42421 76053.83087 89535.11604 117498.7805 187472.4638 213033.9598 272056.0793 183487.5962 186240.5294 291900.4469 301847.0399 575374.4135 634920.8382 dUMP-nega 63363.14927 74581.95803 33673.44699 65093.35007 30321.33701 11917.40069 3386.398459 4926.330174 7397.575922 2468.374985 14800.14658 69893.24303 60027.14043 82202.52616 dUTP-nega 93434.58874 99443.32057 17678.68956 95163.50215 81641.26273 17830.047 4224.583517 7644.639276 8095.518138 7401.999725 12351.22775 4932.044886 18088.28493 8379.251773 ethanolamine 291790.5596 234853.7093 95166.96936 169835.9733 204364.0007 185816.5458 13449.05824 36192.18135 5289.385572 29074.35206 16051.97406 6271.1332 13761.31653 20638.3797 177943.9623 173480.6816 203986.8085 175370.096 172987.9289 246173.5467 406523.7205 347519.4142 304664.6455 FAD 176816.8452 266036.0648 197009.7294 146436.6058 136243.9752 141449.5882 25357.39915 21133.03915 29582.127 10987.42157 10143.03566 20285.53672 22819.21944 31275.25913 20288.47311 751934.0706 949258.8477 1078646.879 829406.725 681798.8593 931649.3576 530882.3313 885971.3305 891892.5093 Flavone 60503.16136 3274.672727 2269.731247 14533.52842 10244.6576 13567.71881 8286.788316 10318.76143 13030.14125 13148.77308 12201.25187 33588.15133 162848.9741 158286.2699 140250.8411 97707.33509 89261.51511 137286.6312 136488.3407 98059.79895 120579.682 FMN 7494.593935 13470.42337 5051.720693 28644.90585 12636.4176 1683.86418 5091.759869 4109.590143 2466.70397 2414.247821 3288.069516 folate 10944.95718 23572.17915 15154.68797 39569.61468 19368.30025 15155.03297 118334.2688 91286.76118 163134.9769 91284.18365 76931.3753 126785.0925 92131.57152 97202.225 115796.3434 115961.5895 115363.728 162025.5674 99511.70463 202371.3711 119256.2924 134884.8245 94569.46034 98010.13385 fructose-1,6-bisphosphate 31060315.31 18766207.56 6696376.517 18908451.87 11781816.68 7917993.815 2380479.86 1697678.282 3379881.062 1257920.959 1038223.719 2236707.474 2329881.293 2993945.308 3607999.583 5913393.993 4145054.627 6827548.261 5622396.305 4078568.182 5879215.555 11528642.86 13982262.82 11689779.12 fructose-6-phosphate 2892501.298 552205.9414 2956123.212 912856.085 951229.0472 621887.8294 108246.3443 71838.5053 122565.4609 66778.53988 70788.69184 149613.4728 108365.8622 137284.2646 164741.5741 339725.6895 570480.8179 768017.4433 333875.9097 316046.7348 802055.1241 719928.1524 1095297.3 1698235.968 fumarate 2935094.27 2994586.816 1114348.478 3744606.995 2421438.4 1246019.365 2818597.137 2288311.627 3336801.784 2381143.032 2381865.367 3187274.522 2425288.873 2947509.776 3356794.952 273636.7675 283073.837 298225.5466 271199.0684 232791.3801 254934.3736 1046312.946 1119471.706 1065940.637 GDP-nega 500548.0679 625328.6729 316517.2309 448799.2276 821194.7456 111827.6788 23663.69058 7609.844111 5782.625829 11834.36426 10987.14821 10144.3249 14374.66208 13518.48755 69898.05021 142994.7 97809.97303 38597.82062 32720.85641 105172.2096 86247.01512 248212.408 292829.2687 Geranyl-PP 1624689.011 271364.0031 350897.3776 4174952.183 215580.5789 276530.493 12678.6929 7605.082915 21117.90077 10142.96885 13329.49704 17752.7284 16058.61618 16956.31104 21130.99951 33812.45083 49298.59426 62446.44834 50020.00274 19219.42206 40166.81627 47442.90082 58017.62853 54465.78596 glucono-?-lactone 48806.71912 36235.75944 34806.18663 66579.40483 48845.44252 40657.70954 13693.59508 11850.17163 5067.836272 20232.25417 7715.294796 9298.781843 22194.26167 16437.86451 31160.73939 20554.64398 32168.08435 23854.8813 59232.72042 36269.83274 36182.69399 glucosamine 168176.406 131650.5425 160177.0968 145379.0393 128569.9458 186737.3827 795281.667 401705.3306 821418.0065 499938.8911 349390.6169 989099.7759 837095.7628 270820.3293 318652.1786 1937282.61 876027.1755 962481.0224 790004.8418 1245948.616 968661.1083 1210197.315 1259364.245 1305851.799 glucose-1-phosphate 1944547.28 1578914.274 3590661.549 3637034.293 1659015.492 937918.8077 55792.34767 30782.15579 47291.41419 24707.91098 42933.48438 43745.0949 46349.61386 76223.95989 101021.1496 1335609.961 1793080.471 1242365.029 1382099.02 1090803.511 1349997.577 1080272.124 1601108.956 1842004.175 glucose-6-phosphate 3249282.033 1023228.074 2461307.78 1280255.734 1405223.111 638214.044 97578.91411 88315.27196 106247.4442 68419.67218 56786.58017 110644.0608 99320.6671 97938.73122 129057.1394 399694.982 880471.0858 720490.4886 381289.0338 497247.4438 1022038.436 653455.5865 1281101.363 2098616.175 glutamate 35560940.27 36793661.4 23982164.9 60409419.79 42478991.56 33606715.62 104126176.9 82794109.84 116447412.1 97759910.4 97002272.9 134963134.7 104286248.9 109840756.6 118013477.8 134087362.1 150319901.2 183810723.4 122888774.2 134854176.9 167446409.5 384344377.7 344935481.6 338654972.2 glutamine 302114.7031 199221.9643 471574.5271 241459.5544 186752.6436 185284.2845 38804791.34 28873570.97 45345623.45 33659132.25 30644343.31 59246480.76 33307100.33 44617549.6 44214223.95 33228121.56 31075474.37 39282519.1 32038120.47 33367275.62 37971216.42 71703619.17 67177071.95 63285463.38 glutathione 34120534.81 35672631.73 40338000.67 72860117.26 52230088.28 53307594.23 57370006.16 41322571.56 62518077.4 40757904.6 35169326.44 62031795.71 51153253.74 59464824.61 76799706.61 224672382.7 220225892.1 280624464.9 235985261.2 248099225.1 268198754.3 423869685 477320699.4 461659221 glutathione disulfide-nega 25825388.22 20590486.75 18781716.16 32639180.45 34512170.73 29552962.52 277147.1062 200994.5609 437485.0144 152149.9835 139438.8466 376963.4414 312693.655 322886.9371 459823.2415 16226211.98 13521929.08 18410197.84 12535012.67 14486026.9 15465795.68 45287642.3 33774895.99 26762194.51 glutathione disulfide-posi 3590923.781 4538282.174 4418045.86 17233739.9 10369255.8 7830568.02 2631972.965 2020022.896 2991963.774 1417490.129 1522875.801 2615255.292 2541240.87 2516534.668 3351281.93 13240421.87 11007446.71 16102507.22 10073245.39 11922365.66 14723416.38 44684580.75 32547476.16 27555621.07 glutathione-nega 30859844.64 26185231.97 24773662.67 63554462.71 47226808.35 42063768.2 5397209.838 3944334.342 5384018.564 3132603.837 2773728.865 5692357.294 4589539.562 5862125.252 7016813.552 37750993.22 32703574.76 43737343.54 38332053.4 32726665.47 34155474.65 62116233.89 67371250.22 66324651.84 gluterate 158355.3841 204464.9082 72381.05723 242574.2916 162329.3265 113913.8933 4957.466768 4933.298313 glycerate 490904.6193 669686.7695 277581.0319 639259.7902 605451.3796 376644.8498 44718.76553 37120.9849 43901.31094 10119.32495 20414.7739 39703.23909 25349.31489 42377.85245 46402.15027 4109.677479 6577.895639 13155.57963 6578.570523 6594.152928 9043.044377 32090.29444 20554.6744 25488.10164 glycerol 3-phosphate 30229110.88 48493262.28 28666471.94 44431477.64 59186741.75 21816596.09 1902018.934 2499777.764 3032575.507 903112.7425 1621347.891 3704534.586 2839612.759 2486647.785 3435759.318 Glycerophosphocholine 130030914.8 134917528.9 156593654.8 133284127.6 137760955.4 151298877.9 141642465.9 104628968 154684304.4 72797728.15 56020923.58 90303573.17 142629654.1 161655514.9 176537924.8 1722603989 1665483931 1796914183 1861341776 1663106742 1752274829 2324307446 2339136451 2306870582 glycine 3364.548582 1651.545184 3367.410123 4207.86281 69309.97033 49850.63461 97199.96723 38030.525 38053.46065 92976.27455 97210.38191 108918.1382 124251.8263 9039.838844 glycolate 106916.2561 177964.8346 193432.2981 220046.6376 174772.4627 230391.9889 17010.05193 8016.139775 16900.78676 16600.32657 17163.99096 5293.482868 10419.82145 22232.2323 glyoxylate 62095.85379 43348.57312 27476.36467 103623.8433 65628.92706 25044.15306 50326.79947 48163.08452 45873.40065 21602.12754 37523.06062 52751.27962 43872.81138 57350.08794 47017.13787 5757.375962 2475.693948 4932.339038 GMP 371422.7337 181512.0263 383080.5697 260746.6701 330244.5964 35647.92225 220260.7437 157840.3607 262856.4211 110540.3747 102179.6143 170267.4456 189022.0136 226596.0571 258224.2585 27378.72382 123309.5572 84775.91382 68445.54227 21807.16299 107337.9957 86002.57621 259144.882 593246.02 GTP-nega 5405437.083 6322332.794 3110152.456 3978342.061 6373172.888 2233019.698 32108.47416 18595.54962 35584.98996 12653.73064 8450.634962 21111.62877 21119.57541 24513.27678 25435.28865 1072906.49 1540585.743 2714401.477 831202.638 873805.3352 3314538.021 2279566.886 2438342.77 2978866.008 Guanidoacetic acid 3664824.331 4827925.004 2216793.871 3655659.344 4048528.609 330673.4048 63997.67986 56839.5361 67806.90511 38045.28292 42018.42963 57640.98386 64117.13184 83796.22032 85909.21914 23089.5525 33676.14272 22197.651 23842.86238 36179.44323 14798.21844 78964.88782 74829.05645 85517.52801 guanine 63724.2449 32410.00962 34036.20311 64368.7533 64226.29853 39502.95371 10671.68309 5539.041958 7273.738893 15445.00371 8157.63421 8304.032429 16195.64768 9460.238876 22906.7295 230641.5836 266624.6815 229295.7486 124766.8945 177122.0738 421213.6069 344063.6483 254390.1669 348622.3816 guanosine 8539.545151 15461.53122 4271.265575 5124.159614 7693.4395 5977.283846 4228.043052 4233.864552 5094.6609 7638.722451 12340.12668 28053.51961 9499.713188 13228.82989 9213.279875 11259.94846 12002.13748 14010.55382 13143.55966 guanosine 5-diphosphate,3-diphosphate 96113.25191 27179.46231 60208.77388 60396.65066 40760.61863 35768.33566 448310.1201 761678.4723 474246.6242 506646.3753 493465.9946 407812.2343 1089530.876 1180516.166 979219.117 hexose-phosphate 40662616.66 19485871.83 27819331.34 26482651.34 25619563.25 18450248.23 1717280.223 967584.0046 1885885.014 957728.338 739919.2637 1732835.87 1622877.593 1798218.577 2171876.468 1728251.317 2580442.871 2378245.138 1588034.823 1704104.602 2772595.157 2234405.437 3326244.7 4879359.427 histidine 106791866.9 105989439.2 59725183.66 92194731.58 85141782.48 57794581.42 9602265.081 6340769.555 12461564.89 6297669.532 6087710.824 12842792.09 9416146.203 10550786.82 12957420.62 14887838.99 14234691.44 21647147.71 14223919.36 15726601.07 17873355.03 40279509.72 37927365.58 35544081.93 histidinol 1636.281109 6763.737362 5763.913425 2457.092666 HMG-CoA_pos 13479.1318 5797.701894 15995.99375 2544.856463 7576.991701 6755.219538 5752.242587 9043.027435 9866.740886 10661.93675 18088.17703 20554.69446 homocysteic acid 876430.9174 1424314.504 127101.9601 641673.6905 728458.8039 178381.2353 4219.310188 10690.63508 9163.549068 5754.859136 6548.76283 9869.288895 10690.98984 29602.40552 27102.64196 22200.32672 homocysteine 66556.25281 35358.89938 18523.37403 59818.33471 56545.32662 31987.1273 297096.262 198199.016 393571.0645 210814.6487 227883.1535 451387.2335 289856.6935 285546.6344 405180.5232 518773.1507 404885.5877 672096.4464 505538.836 476640.053 511050.8252 1014223.66 972842.5967 1004653.221 homoserine 25960.21426 19360.69635 7375.645376 21028.72735 22787.81247 19380.16435 38791.13987 16052.49932 41330.91988 26915.96672 34817.31276 42231.06028 20310.94249 37824.34182 45244.2356 13870.61936 20144.8812 15700.25223 14401.30054 18462.74699 17457.38689 41020.41927 36972.33636 36755.09807 Hydroxyisocaproic acid 135173.9761 41508.93152 43322.17975 53369.83943 22169.50203 69951.13761 24500.38898 16638.30789 9147.522929 11044.18418 11136.48026 14053.03402 26803.91187 13905.11056 5749.054742 6619.036053 8221.459109 3287.736291 10688.4875 16438.48476 20553.32434 14809.15883 Hydroxyphenylacetic acid 145550.4867 81246.89386 10117.61712 199332.8523 112370.8575 32153.90715 7828.274132 4203.107773 26838.52734 28735.1163 8509.058651 24366.96665 14556.3907 19450.8847 27482.37084 11484.48648 20164.85758 25387.27686 18523.18141 25427.90445 16270.40745 24459.33178 34086.21587 34709.27464 hydroxyphenylpyruvate 11749.20133 5064.062448 4595.652913 16328.61894 2608.416655 4228.813515 107340.8831 48291.85027 158831.6306 58319.75171 51560.37281 102978.1401 89149.06555 86764.05581 141169.0351 24667.4644 15619.45287 13978.60357 5754.651206 5754.761066 10694.06271 91221.12445 72365.27683 83898.12551 hydroxyproline 2637739.795 2418523.076 991087.9335 2521279.202 2325088.485 897093.7296 1935057.589 1236698.863 2535657.437 1170302.963 1244605.731 2587723.841 1881687.941 2289216.962 2830501.965 511155.703 529999.5124 646731.3985 492072.6178 501202.9739 664260.4862 1348527.185 1261116.002 1148631.823 hypoxanthine 3154108.255 4929955.261 3754784.755 2235659.437 10046514.05 564232.268 5071.485685 8451.599135 5070.702831 9317.507647 11816.93952 5895.78554 49357.23972 410187.3961 111772.8852 58226.76158 132547.9229 354269.8945 139393.5506 345042.8246 699109.1553 IDP-nega 2974403.265 1833581.523 1256306.325 4139923.319 2716086.976 733324.2782 60850.51305 36334.37877 86218.59221 38097.72938 33774.99256 60227.73505 54061.49771 69314.57972 91485.1423 170133.0782 253786.5915 216050.7311 130857.4802 138854.5154 206697.5109 269255.3245 611280.241 656873.5479 Imidazole Imidazoleacetic acid 165005.5781 68328.04326 124996.3006 135351.5313 69308.514 70717.72098 302458.9605 167089.2935 290511.1536 223463.8052 156944.51 350858.6585 276558.4854 277780.1625 312053.2725 135677.8605 303976.4788 404137.6721 266040.477 385546.1604 359585.6932 278767.1402 550358.3496 527807.6606 IMP 498332.9966 346057.3567 311051.8967 596237.5633 849015.404 121320.0691 246150.0741 196962.5397 314313.755 186791.7624 162330.5121 294048.796 203269.0738 249702.699 304332.8158 250062.8763 393051.2966 414552.1088 259446.7605 246169.9238 384990.2044 653152.864 1048709.647 1331191.668 indole 558173.983 691361.0053 311172.3249 438144.1599 453374.1086 410299.4596 44508.53758 31707.62062 68834.80343 28344.6012 50108.94962 93479.09695 46899.95614 63014.44664 45805.12647 386692.6076 438301.2979 622961.8195 449793.0754 585173.9521 521628.9633 1428971.468 1524969.185 1603252.806 Indole-3-carboxylic acid 776961.9157 667561.2745 146304.9241 558025.862 505958.442 189718.1351 4432.875771 26096.16836 29629.61156 17714.64908 29704.33837 49356.16062 79757.49245 24932.06825 220221.444 231242.8992 224974.6106 215233.4373 207682.6841 175527.7104 283856.1915 290730.7633 341574.8819 Indoleacrylic acid 237341.5473 261952.9092 114903.8731 232941.1311 253059.7785 148134.1658 6734.127002 7602.965353 15219.09692 15934.76803 8125.622969 13960.89466 8428.815285 4224.58448 13524.06696 65568.30632 71885.31854 128804.3353 94743.155 168553.8657 100288.1543 324572.0702 261001.1502 413147.8277 inosine 795588.6728 360512.5688 863830.6549 213469.4745 1718866.237 72738.43305 10889.59911 9297.640407 8448.464408 21135.43969 7604.581174 10987.3829 19354.65704 27077.88457 531619.8115 71543.60019 30422.20722 132313.0777 382608.6909 84701.86055 515183.296 956085.6762 isocitrate 6717.010694 3856.037861 105656.292 1662.232262 1685.431135 167995.6083 89592.53822 38880.62102 74306.32291 42070.56979 43105.86089 49873.04728 49228.07853 73528.33432 95538.54491 24648.77425 39307.25684 24668.8432 36998.38586 9856.293964 18086.13829 32890.40187 33713.91624 29600.87248 itaconic acid 811206.8681 722826.8062 523041.6226 1268445.913 841363.3741 498448.3204 118879.6143 156795.7605 148967.054 116404.0472 145230.8458 136997.5571 216588.9883 231978.0571 243218.529 Kynurenic acid 374399.5059 248079.5847 135654.0284 406599.9652 406322.1846 188617.3032 60386.02371 22635.56915 57419.62924 32899.16281 42601.84816 56050.90561 64374.75116 86368.58861 84035.498 95038.27488 213111.3623 210435.3869 83697.58054 73436.24342 216947.0548 387138.215 80458.62758 141619.6163 Kynurenine 132169.6319 221361.1014 14508.45273 123761.0012 160814.2584 10335.57723 4224.543926 5032.127085 3370.307996 13560.38132 13522.70558 17349.91881 49367.3402 88824.67501 63315.56052 114304.0475 55216.91922 129994.6616 72350.85705 73350.02819 L-arginino-succinate 22254.28545 22593.20676 12337.36119 15976.11237 15069.48437 6035.373231 478694.2571 327927.339 676227.7331 396655.1131 295758.7348 659297.8997 384545.1256 530816.0474 460006.7213 2344327.891 1918873.354 3096665.828 2071643.424 2166745.277 2746111.375 4203436.55 3547065.784 4068531.423 lactate 84488121.37 102433331.1 28326498.91 92477754.16 88468563.94 29860061.95 7048663.206 5136133.471 7619271.581 4720967.382 4729925.332 6970879.682 7405068.934 7123357.993 9287950.503 77298.54636 66966.18396 137353.6329 47675.10511 75655.07652 92927.17981 408233.118 425604.4489 368626.6366 leucine-isoleucine 101622330.1 114915404.3 13991092.7 88753602.68 96324479.23 16435465.28 79429483.09 50631352.82 100564388 54508407.42 53212895.98 100955461 74047558.92 88692322.52 105697761.4 31839024.47 29515906.23 41213452.94 30904857.87 32768546.32 37099048.22 83133482.86 75174590.95 72166171.88 lipoate 26940.02866 21890.66402 5895.353343 32890.21631 43785.0652 2525.730206 61668.72219 77188.01099 78130.20035 37801.4625 50138.8815 95411.48566 94686.64538 146433.6697 130678.3805 lysine 165748.5707 249852.7199 43248.62057 224824.2836 237014.7113 56404.67507 415726.5084 287344.4675 438545.976 262791.9223 267369.7398 484421.1058 494165.5483 613688.1284 538005.1052 1037737.184 1085384.196 1681430.054 1355302.041 1391417.914 1370009.362 2196645.329 2163083.257 2146867.148 malate 17359896.12 18345176.64 8464076.433 15720399.92 13667132.57 11936620.78 25299412.58 21221219.45 29412084.96 21418502.49 21058544.17 31389346.53 23583956.24 27356687.3 31134489.13 1610365.816 1576114.626 2060582.741 1671099.345 1412092.317 1670058.885 7218062.467 7069337.002 7395224.62 Maleic acid 2898891.222 2536763.523 901180.121 3897388.475 2356131.326 1294147.44 3570366.417 3215316.128 4280833.863 3220826.204 3062489.419 4055282.919 3489530.986 4025882.29 4196384.645 241863.6833 259484.6531 309011.4953 291193.0773 211014.7296 302133.9663 1083076.781 935913.6424 1058391.233 malonyl-CoA-nega malonyl-CoA-posi 5036.060694 4210.273599 13468.52409 2524.907271 2539.434014 5051.51989 4227.069287 7398.098714 32018.1175 14801.70295 4135.484219 24666.69118 24804.73603 4951.414893 25490.47589 20555.17133 methionine 5525606.794 4849250.273 2672433.298 3758832.362 3027248.496 1757204.257 2863338.333 1970878.912 3886435.479 2273339.424 2093106.16 4257366.843 3275339.494 3241673.012 4288924.173 2971270.677 2565490.616 2968948.301 3104740.337 2948689.307 2842606.695 5143966.627 5182578.257 4586426.119 Methionine sulfoxide 605882.84 624100.0233 428558.0672 271580.6695 247556.3778 444681.2276 54064.14886 38882.87243 113266.9373 72723.32649 68464.55214 91285.15867 50712.10322 70990.34227 102273.2852 516272.2786 541813.5509 618185.6469 495428.7863 563952.545 558093.9725 637205.0082 567806.8013 517008.6991 Methylcysteine 3459634.249 3475521.51 1594383.611 2852957.511 2657270.412 1415743.725 827375.6616 640158.3074 1207410.636 547423.1885 557822.8937 1261998.934 836156.4564 990797.8405 1225579.874 7922263.846 7766216.808 9801715.873 7533344.202 7516188.666 7639734.9 14425169.58 15819136.36 14691074.85 Methylmalonic acid 3350363.23 1111211.186 5572654.339 4237500.483 2405914.792 3312626.136 14233319.52 12014090.76 15792628.05 13573545.46 10226627.79 17225499.87 15667717.27 18831614.4 17162114.19 201509.7487 215261.5209 271998.0145 208244.7238 195901.7771 239212.3751 636241.9153 673352.1689 628103.1525 methylnicotinamide 14371.88625 8613.227622 5760735.026 14473.89228 1462572.637 4128.797673 9611.85522 7723.350644 6806.99841 9465.097838 7097.664531 6999.64369 18623.46172 5796.223026 814805.0447 2624995.004 1075835.021 441796.0182 1051044.731 1903886.747 1102538.11 2568488.896 4824933.323 mevalonate 5337.982481 4442.359692 5544.000766 myo-inositol 140407266.5 144747534.9 101129923.4 156452109.3 141485340.8 115990182 853766.7941 538266.0445 855145.9658 427828.2454 310025.6688 579596.8506 745026.3156 704123.9781 1045864.373 9045871.622 8344120.462 12003085.92 6765722.911 7634294.102 10489111.72 50823953.15 45813691.51 41238344.67 N-acetyl spermidine 21288.82034 87271.25745 12258.11204 13508.52171 12816.45833 7898.843798 8992.926435 5166.102809 13571.56092 16134.07316 15348.02599 48391.32503 15221.62658 18924.10686 37278.16902 51916.22946 48201.29026 59512.22135 140953.7506 103926.1013 70020.74477 89182.73933 75048.59627 88782.6682 N-acetyl spermine 58716.24707 92109.15001 28945.03767 114261.1681 121226.0312 45070.15926 571099.3225 556877.2856 367554.4003 668091.8556 486352.2256 331853.1924 548699.5157 414780.437 468375.1398 78808.31319 48599.89607 61677.93432 103630.688 77286.85859 60160.80143 66969.05644 82322.50968 83021.45936 N-acetyl-aspartylglutamic acid 3589156.414 4225986.284 4679478.77 3276604.185 3831968.231 4185682.348 19109572.98 16325197.71 15188299.25 N-acetyl-glucosamine 13465.10559 19676.45974 18519.95593 8344.72001 16832.28202 1666.88602 41017.28305 34656.01586 84003.42616 26261.68849 31911.4412 43199.02284 28300.67441 44723.0421 59311.05335 138689.2061 128761.7241 123279.125 86300.37055 139471.5569 155927.9157 114502.652 68288.14793 88065.49075 N-acetyl-glucosamine-1-phosphate 1410423.79 1510387.487 965005.6578 1489149.713 1417171.004 935392.8385 109867.6329 60663.37783 119578.3195 48523.71078 47305.15077 101514.0107 104419.1373 97305.30755 127128.3043 317311.4858 473512.8706 368966.6052 315765.0371 425867.5836 503521.5143 418493.5432 273745.7607 308859.8228 N-acetyl-glutamate 108318.8058 99662.65437 45958.74807 87414.8895 63554.26729 59820.13453 82873.8823 48608.61929 123836.6758 66776.20258 60868.49774 59729.59146 65726.74889 75108.04778 104379.3502 334012.617 348832.6787 411877.6576 310037.806 348608.4757 410696.2322 623406.7973 543761.029 527855.4397 N-acetyl-glutamine 37845.25854 22201.2889 11147.03361 20111.00109 22148.9235 26564.4154 60890.60558 22462.9801 78718.2291 52527.2694 37905.58733 94455.15186 55523.70847 50674.35762 76345.08824 7485.750469 8004.15578 16268.80159 17055.69734 5834.280615 7722.339248 14780.48507 22514.40846 11093.00598 N-Acetyl-L-alanine 22947276.17 33718032.79 9327065.054 26052526.76 36539142.01 14034810.87 457501.7571 303649.7605 674691.6719 338012.8335 314995.1778 469037.0986 476291.9385 371124.0386 479139.0696 98647376.96 105963130.2 117456024.8 95120853.48 99911099.46 108625892.7 169249956.6 159471227.7 162233916.6 N-acetyl-L-alanine1 132998904.8 148906669.7 116300499.5 144424234.6 153411065.9 135314535.9 N-acetyl-L-aspartic acid 2523.190751 4226.169942 3366.815015 6735.992627 9261.793621 4209.661775 1473650.392 1409950.357 1928947.752 1454800.492 1652761.504 1811948.887 2939993.482 2765904.038 2824162.069 N-acetyl-L-ornithine 1684.344726 2331.157118 5892.603634 1672.587176 4209.838754 2525.734934 10009.55424 4908.173478 5304.80582 4186.278713 5415.561364 3572.855356 2529.28008 8640.621808 2612.565731 7052.75562 5422.01762 8251.296888 5257.914679 N-acetylaspartylglutamic acid 13470.77191 5892.42973 10103.03385 7577.159645 2526.53482 18521.66821 N-Acetylputrescine 399619.73 359442.3445 10114.33175 211970.5276 163002.4083 50397.77677 10651.2256 25731.27049 18567.21161 17376.1114 8039.93675 11598.17241 15452.11667 7935.702632 15581.88868 31060.81349 23109.24851 16444.03078 12722.04888 8223.518008 17894.4757 18735.34572 41135.28569 N-carbamoyl-L-aspartate 110282.8253 53870.07969 20203.24354 72384.34405 32772.70847 15998.2046 40568.67506 26202.63391 43110.08596 49015.46575 21977.68265 68464.7776 50715.03375 57476.40301 80303.39156 84113.58334 78101.62397 104649.3547 59530.40572 89665.84773 104528.2845 165999.8162 155666.6998 138256.8363 N-carbamoyl-L-aspartate-nega 95970.36338 133025.5262 83354.26677 165844.2991 147353.5603 116169.761 288228.409 200303.7243 371904.8051 235041.2956 211308.6842 412502.6071 355000.7818 479261.6256 708344.0372 43581.52638 40260.23912 82236.12248 55089.79547 61671.6836 66605.61645 175192.2692 167780.2139 177661.6762 N1-Methyl-2_2-pyridone-3_5-carboximide 25665.79291 28784.6373 17376.5538 6133.60467 17346.02955 11066.96212 12237.63299 44113.82242 32036.50319 N1-Methyl-2_4-pyridone-3_5-carboximide 7278.538997 12862.50041 11656.6603 N6-Acetyl-L-lysine 656577.6287 697618.7595 163336.1748 545028.3334 604898.4224 110288.9043 39166.85861 37712.28669 65770.43318 25643.59161 15450.24921 21111.89012 71842.58308 61237.88848 73244.23939 1537724.103 1273370.705 1805798.475 1680605.976 1858994.646 1233178.456 2179073.695 3376767.508 3237036.838 NAD+_nega 15419494.46 12442306.28 4038074.861 13830693.89 10550830.18 4611537.117 150454.1574 115804.5289 169053.0143 65861.58979 103129.3037 164823.8929 142020.8899 169053.1702 246780.5573 592410.8663 775414.746 942846.7921 654360.6048 546778.5352 657854.3771 1334821.054 1134393.187 1608435.023 NAD+_posi 37219069.12 34627584.37 16655966.82 23671258.53 28946046.28 19952119.44 7124212.293 5073154.336 7513015.189 4151850.131 4358341.795 7382601.272 6998385.861 8233543.542 9331868.093 29915053.94 24170316.47 36505339.98 30545607.78 24438145.51 31398457.86 58610463.32 55065758.27 51257173.36 NADH 171760.7588 281190.8188 54725.93627 290454.7119 399106.7523 45465.16667 43947.50647 45650.24554 60013.76033 62551.85157 55786.80517 87897.6201 59166.75357 70999.65277 63391.24847 79411.37075 198174.3097 288771.2968 151393.6579 117606.7722 216345.0846 399121.9507 1017217.486 1734856.986 NADH-nega 787171.9345 718203.3611 152397.7257 1269646.717 1807083.797 284579.196 9045.395701 31269.63264 40293.00376 16443.01142 14800.03922 23847.80812 54271.66835 130776.0078 238635.1042 NADP+_nega 3735385.554 4715129.984 1905231.561 3704831.215 5026492.494 1376119.325 4224.574956 5071.445986 6762.756154 5903.267934 7607.226163 6762.948366 292813.9964 481230.9914 488802.1425 314284.5825 350459.6575 474198.9467 402434.6141 826378.3032 822611.207 NADP+_posi 2378386.201 3114287.214 3246976.248 7171580.573 3446089.022 1877976.276 410678.8105 260160.8315 337215.5828 128004.1864 122535.4051 227883.5649 310084.7058 474113.8534 426451.7961 550896.5812 924032.3739 1007181.787 628092.926 656347.0144 902918.2783 738461.4785 1508203.157 1692919.919 NADPH 5048.890551 2525.658521 2527.237241 1685.322341 4245.071232 2525.094996 9298.380111 10983.43491 6711.052191 5069.08052 9300.966569 4225.046826 4224.564248 15217.04462 21379.91037 31137.42496 17920.77392 27120.87341 3933.956554 12529.49927 30142.2583 27938.01527 84093.68732 NADPH-nega 39570.29117 46314.96386 18526.93057 37047.55164 30413.89899 24417.24136 8217.48324 6576.150064 5754.766656 3288.044869 7399.983459 12333.48747 Ng,NG-dimethyl-L-arginine 474873.3382 423575.0967 65527.12683 335866.8876 381164.8549 105667.4518 12089.05424 25867.15085 11881.11339 29483.80026 4156843.084 3844056.846 6092393.808 3863130.313 4259854.316 5763331.756 10112774.81 9552593.291 9817832.245 nicotinamide 7488375.652 10077941.35 4251319.999 11140078.79 13908048.02 3084062.924 3705096.393 2436531.15 4921810.24 2461205.29 2509762.205 5017069.551 3826899.338 4209625.413 5454190.656 7608948.942 19427247.83 16878754.6 8453268.2 16413433.49 15887071.64 23998243.49 11758138.76 15778991.57 Nicotinamide Riboside 4191.187064 2363.156788 3494.740659 6459.966207 2520.304393 3324.014424 6364.674659 4858.148931 10840.80511 10915.04962 8832.637884 4565.497148 4476.239545 8256.201431 Nicotinamide ribotide 2782443.075 2546376.076 1430816.748 4050878.433 3617478.04 1561297.548 3368.461318 8893.953464 361156.8064 616364.7965 590154.635 509048.1682 260304.2728 650796.506 847138.2612 317293.7544 480425.5372 nicotinate 410278.0855 281019.3284 89116.99422 299530.758 99041.2381 97529.04565 26871.31809 28923.60915 23510.82164 22343.77178 12373.35149 32403.06446 26579.36709 37240.96572 16861.06019 22786.86352 26158.91475 34878.75782 28904.15165 25144.36255 25339.99817 21908.45869 25990.71808 19857.30661 O-acetyl-L-serine 16018.88675 9939.941771 41987.16452 8351.666732 4188.334593 20673.51826 27890.68206 19466.18696 33090.65563 19509.02637 4227.121213 12699.54687 15373.2492 16237.719 30411.71498 4102.055454 5573.707211 6471.835059 7350.670771 8757.590791 5752.173569 2987.35374 8938.066321 2423.433991 O8P-O1P 1149533.903 1271789.952 361747.9203 1645243.654 1181596.947 483780.7429 31268.45646 29584.78664 71823.27995 31026.70859 18595.41054 54940.96426 29571.25532 39781.79547 76073.68679 102556.8823 94047.49158 124777.6039 82015.02884 87921.63535 98932.50984 238345.2471 250025.4343 266993.9321 OBP 124196.3644 136735.3937 318901.7373 137128.8868 101832.3198 250142.1999 9025.825528 6760.418687 49905.56882 60425.12468 31495.50893 34465.11855 38569.89046 60555.53436 73539.78566 103333.6617 124111.1329 ornithine 2835208.14 5522492.501 538810.8225 2109050.856 3876167.506 662240.9544 19523.80991 8118.660879 11879.64328 10242.12216 9191.696183 29328.07116 4005.244578 13738.70204 6167.518587 444200.0949 1720223.201 2949091.921 1270116.963 1905110.78 3742795.585 2012051.267 952473.4162 881296.4365 orotate 356371.4912 329578.2617 1371711.377 624841.6453 387425.4771 1736466.856 36593.79028 36251.68965 64157.84502 28521.82761 38443.43312 27884.17117 30531.42535 63743.3188 44220.02819 1980319.586 71204.53852 83943.0404 58228.98304 2412228.099 107054.6216 87955.07433 89044.52825 orotidine-5-phosphate 105586.0259 183200.5392 85052.74556 364153.0607 400674.1498 229690.8107 20530.62419 14217.89672 2435.929039 17483.94224 22900.17787 6366.185048 5751.739766 9864.266387 10495.80793 oxaloacetate 719242.0552 339513.6245 758241.1997 697375.3516 488885.8156 545318.5048 139686.7599 120084.0556 204290.018 63998.95004 94536.87977 146362.5979 111507.6411 144034.7918 165130.8751 45219.49169 61733.28423 43938.46743 40897.49572 45943.26267 59780.78431 43783.91946 53410.88497 53610.9701 p-aminobenzoate 64084.09036 36835.77302 53263.30442 31521.65745 102490.7358 14734.60281 55055.21433 58363.699 62498.00075 46085.51344 72788.13945 75650.74689 52562.07802 50058.21007 61784.34228 128116.8289 156841.5298 97007.44966 106866.4273 91796.66812 84095.56891 49902.09629 27522.39252 16840.54257 p-hydroxybenzoate 33561.42909 49458.93844 26487.6892 16508.26998 23083.47902 25823.18122 55753.08397 82975.61193 113068.7789 36085.25989 39085.12933 82029.37271 71191.61947 86511.65466 56015.9813 303226.545 351886.8131 309263.0829 286404.4844 556529.0853 173168.8234 191502.5986 312140.8698 223266.2583 pantothenate 61497685.32 59577206.75 2822307.747 55871933.88 32499480.45 3515239.094 4194603.594 2891596.81 4990581.728 2497712.667 2081839.289 3769717.555 3533432.753 3969324.966 4973330.968 34174747.34 32006462.69 43916606.13 20032690.45 32814479.43 49087848.21 100622131.5 97769075.46 70507737.72 phenylalanine 20812896.98 26119819.65 6681991.184 20813932.75 19622856.1 7338215.698 12537703.09 7783006.571 17953217.78 8755339.95 7788342.254 17326326.99 13185890.84 13823440.18 18008427.64 8247780.609 8571640.95 12611337.13 8209153.165 10418070.6 10641502.61 30099888.72 31399426.96 31981905.51 Phenyllactic acid 114177.5207 143932.9533 15008.52133 119439.9012 97143.15026 8811.22613 35500.5104 19438.05819 78628.17359 29614.60878 49880.00489 80301.92309 59200.9418 54929.26949 70134.80736 22200.53104 29600.29503 27956.37444 33717.06875 33713.41938 16446.07102 85531.34399 80593.85226 105268.2513 Phenylpropiolic acid 1409894.296 810150.2088 1051293.963 1920047.25 1285863.4 887831.3952 553946.5091 381737.1026 742001.1259 518193.0038 422639.9015 973416.5652 586053.5462 638310.2869 639777.8624 310593.0555 372410.8169 414278.1527 365798.1069 407902.8305 447570.9559 1012710.244 919182.4715 971679.8261 phenylpyruvate 55585.59112 39279.11126 13109.23622 57969.98724 52186.20555 32189.2327 3380.133986 phosphocreatine 1137421.478 328951.8673 335818.4256 834944.3067 637407.8928 312796.4999 26064.3948 23937.20045 50050.31382 24497.53733 21859.99324 36245.90304 28015.19696 45538.07423 39079.61845 9432.685361 10585.66907 10047.5206 16847.53034 4761.116416 10624.54462 17423.41323 20609.74834 22319.61409 phosphoenolpyruvate 9950728.526 5115749.516 2334972.002 7048483.539 3879700.155 1682701.088 126829.3703 89057.63201 183959.1264 89589.85734 98914.24431 175608.5216 169578.1016 211010.3301 271399.417 226359.4793 301699.591 359596.9005 198915.4005 238382.6144 364048.0813 249594.5895 539601.562 849063.8962 Phosphorylcholine 248698631.9 228057340 199044631.3 265550120.4 206851392.9 239549908.8 391523326.5 249682935.1 490479263.3 179768935.8 165391784.8 292997123 363985020.1 451417874.8 519301242.6 595938111.8 568588783 744633617.4 523413831.6 616427021.3 602784537.6 1727254661 1761029167 1730541288 prephenate 2525.900514 proline 117577147.9 122753633 78570092.99 124467630.8 125977596.3 83078870.74 13435463.58 8401283.212 17047193.14 9776990.847 8772997.071 19467686.04 12995554.87 14359849.04 18842158.44 87020174.55 90813419.56 106538828.7 81951097.9 76526009.16 98282954.68 206624649.2 188724281.4 192735909.5 propionyl-CoA-nega propionyl-CoA-posi 9226.958343 44496.61533 2526.130376 1677.284676 2578.692846 5036.698862 4827.667399 4930.987867 3306.429938 5858.178781 purine 383465.9646 388809.2737 95338.65296 331682.1302 237179.4859 94367.19433 134176.3431 87417.79263 218459.4439 93444.34859 82354.77422 177159.2713 114972.8625 137307.7918 179743.1064 264400.7932 304214.1929 347516.9623 265458.589 364052.7365 313451.7267 898150.1505 877758.364 884171.6325 putrescine 101895.7533 208567.4291 234242.0747 209488.4108 89290.58541 93363.80512 363755.51 439374.7792 489424.7016 574998.2005 544983.9852 514527.4319 802661.3702 664824.626 576940.551 765749.6755 641337.5054 181250.9536 121842.4368 44618.6203 202582.9617 883207.6739 1292365.19 1584642.193 Pyridoxamine 1679.243162 1684.526491 3352.154802 12684.9598 9320.350775 15617.8873 22440.21427 22905.42738 10660.5303 18882.36742 22252.50546 52497.49541 50848.50286 45218.46372 pyridoxine 1748273.283 371392.4978 686237.8817 115861.9436 315099.517 687223.9583 4417932.9 2652644.056 5593446.568 2408781.935 2484353.517 6582755.887 4044450.961 4692966.787 5905412.868 11401063.43 11612712.9 14762743.1 10651302.88 12444813.51 13416597.43 45469574.9 42655128.32 41593975.86 Pyroglutamic acid 1311622.367 1428923.799 778944.0586 1585304.134 1219657.854 723391.9801 274740.0984 152147.2328 350185.4931 154117.8951 130728.5271 271029.573 347364.6745 298003.6509 300999.734 94496.36512 87267.97675 121251.2118 111732.9368 106971.214 97858.60985 299270.1189 307733.4726 310897.5948 Pyrophosphate 43094962.37 43091493.74 56573775.75 60069767.04 55158592 52899254.35 58950392.59 56721201.91 46514095.9 44266643.55 44336828.98 pyruvate 58039.04041 42552.3954 45243.69272 71497.33212 82612.41778 48917.37481 7584.4843 4194.547128 9199.507642 7164.477387 6699.16124 7720.59171 7337.423157 6721.257026 4027.235126 3100.217906 2466.562438 quinolinate 82421.6137 37443.0452 90434.275 66495.05985 38136.9942 89628.5528 9905.24778 12873.48929 16888.15681 16486.01534 9965.022882 9590.437639 17245.01247 15946.85123 16731.73144 30653.23865 41106.52827 8212.937311 19910.37221 28505.71983 46091.99151 36606.86378 33565.11975 retinoic acid 6933.029186 3788.628609 6956.212956 4436.052191 10678.21094 10422.95513 19990.59447 17870.5969 9399.621936 9217.011214 31275.06124 16405.43152 17131.37427 riboflavin 65677.43722 111035.5693 9261.705815 150720.1451 108604.1039 15997.38978 11808.52082 5071.40907 22696.78835 9296.082266 29581.92051 20283.18378 28737.65561 13461.79996 197639.4589 185710.4132 230986.281 155550.5818 161002.2869 294740.7402 440273.4608 290402.2084 274808.6701 ribose-phosphate 10831871.64 7696909.002 8564273.407 12312064.62 10154572.16 2364599.815 169126.8625 122569.7744 211165.1392 126097.1557 99503.15419 209324.5686 239656.8857 202075.7174 247292.4224 713550.7608 1290190.482 1035079.602 677835.2742 740844.0411 1113776.549 982173.0632 1391203.53 1838291.45 S-adenosyl-L-homocysteine-nega 102287.5536 113329.7292 72316.50419 51901.26938 126078.0812 83353.68339 57540.02863 2911.416178 65936.10737 32085.92072 19420.26811 39097.9311 63380.0968 34723.28381 105620.3995 30422.54129 20571.61889 45226.15559 47686.84709 31246.98678 7355.615115 105288.5987 80586.76732 101963.8251 S-adenosyl-L-homoCysteine-posi 20135.521 39555.60275 68195.9126 13237.86121 31108.40848 45461.99227 249325.1388 137777.5287 266285.7043 59622.76127 111570.5111 177497.1276 252721.5889 197790.3919 389977.6553 145627.9506 60712.95721 152982.7551 137341.7355 98579.17486 42844.53639 381858.6879 273480.6737 361242.5229 S-adenosyl-L-methioninamine 1684.74954 3457.972188 4925.562473 35980.39165 40336.02218 8850.421159 61956.1879 4787.157203 8221.43188 5974.256186 7472.083922 S-adenosyl-L-methionine 33166321.22 30414110.11 8328174.649 41136409.55 28258133.03 9746196.843 1166699.119 776138.0257 1475033.01 537856.7257 528117.8302 1111299.099 1029345.067 1355687.691 1629303.902 29131095.3 23746217.57 33698881.17 26266029.8 27516179.49 24378378.32 53628462.74 83943241.56 82156725.66 S-methyl-5-thioadenosine 792272.6104 824611.9888 582476.5857 684844.3496 611849.1708 656853.5189 24565.09066 4920.050542 35654.6032 13398.174 35509.8891 24006.22575 20086.08376 31422.62183 22975.1933 120366.2107 27465.11537 132371.5013 27831.3975 67644.43428 176337.1026 144706.4129 251558.049 S-ribosyl-L-homocysteine-nega 17362.47609 11546.20278 8393.747032 12435.01678 14792.79695 1583.13965 5757.733173 7956.53132 5900.76906 8015.478517 6986.996104 8727.414222 5755.069837 19707.8569 9866.875251 3287.99834 11532.6649 15623.15855 6558.81224 9834.816109 9855.248721 S-ribosyl-L-homocysteine-posi 1683.274077 1684.178939 5052.007979 8669.845199 6641.429287 14222.35257 5053.748568 5122.588651 11807.13353 4222.865796 16044.53653 12036.69032 54710.53268 12104.44172 23808.56267 6169.021844 55918.54578 29515.66907 19860.98627 42888.09051 sarcosine 33985414.44 38900237.99 18922844.45 40899264.79 36470462.56 21051680.5 4375592.505 2496587.217 5378292.774 2993522.246 2702227.884 5688396.181 4417580.865 4551430.317 6485846.709 8499279.499 8496000.768 10201939.84 7914086.488 8996903.485 9558679.017 17792344.9 15900103.05 16143437.01 SBP 2468798.889 2013390.194 519789.2101 1603803.885 1810837.172 391293.2526 74470.22027 34496.26906 85004.7659 32046.79174 31968.97441 114053.1465 55147.12635 103677.4249 107114.3308 354695.6418 222913.7509 403751.5647 297059.5945 219103.2691 405788.2223 528348.6357 611882.0624 595433.4147 serine 11425451.73 13149327.25 8317550.184 11280199.77 11483815.25 8807693.491 4287354.295 2978974.062 5350553.911 2976896.177 2824315.805 5350629.86 4303008.307 4355716.477 5905346.412 3808453.082 3442743.197 4687429.489 3147782.56 3414729.546 4284494.53 7160117.148 6737750.872 7044837.022 shikimate 21471183.14 36855519.53 12828243.82 56959001.12 50083620 13853571.39 shikimate-3-phosphate sn-glycerol-3-phosphate 24949159.24 36170162.37 30767231.26 33836815.75 60145919.22 17154025.47 3292028.078 2244855.04 4546477.942 2204919.46 1903903.041 4155396.582 3924319.943 4069807.371 5296263.202 1003119.478 1471897.236 1587739.073 538592.6141 1052805.307 2206779.759 1695762.58 1569079.22 2359253.08 sorbitol 6738203.447 5682574.581 2358576.537 7916890.47 6401756.307 2133048.976 739520.8558 670286.2618 977798.6533 757145.4582 706188.715 843738.5249 3200420.723 3010353.204 2871209.36 spermidine 582259.8025 604431.858 387810.784 846705.8075 620172.937 336755.457 1235155.322 1129578.449 935661.4439 1136669.51 954943.1866 862495.5377 1114746.129 943503.4319 1140395.75 930978.322 926482.854 932434.6234 1203163.502 1070893.841 714248.3764 1273597.582 1856844.868 1290340.28 spermine 19367.86311 6648.192887 12590.15211 19018.6691 14221.58119 21894.49917 4410886.486 3710686.15 3889556.354 4868569.129 3911645.601 3412185.41 3740850.396 3032412.135 4306068.735 1497068.945 1588395.183 1409801.092 2541917.106 1757237.536 1254865.515 999702.9729 1985116.34 1875391.435 succinate 2491125.398 1022913.741 4523649.531 1428315.798 2897624.066 3879434.109 8446551.438 7421025.723 9731541.694 8321439.434 6504056.589 10708222.16 9588482.218 10738502.56 10887865.87 143463.6203 171028.5344 200768.1643 112230.8895 197769.1793 171774.6416 448440.6958 453418.0301 463264.2333 succinyl-CoA-methylmalonyl-CoA-nega succinyl-CoA-posi 14161.41119 18303.04133 25276.06821 8430.305263 12574.61435 9275.478253 16446.69467 36176.36892 14802.45038 15626.37755 31245.60312 35358.66676 19731.61547 55095.4281 64146.15039 taurine 136307711.3 132728859.3 97641316.21 127146934.6 142743082.1 124164261.1 23651186.12 18057015.09 34048799.34 17041643.2 13652919.96 27919262.61 24130363.62 26655348.56 34487713.14 29572878.64 29602979.57 36215236.18 28481289.64 27565952.39 30540536.02 53107211.94 56994074.23 51322233.24 Taurodeoxycholic acid 22693.18807 4210.394686 6666.557684 19361.49834 14326.64404 15995.40559 4133.617535 16336.52895 8878.403594 12129.62793 7393.191577 8221.484807 9865.738821 6578.729206 9042.104016 thiamine 50466392.53 60160820.93 1101528.492 44452591.52 39176769.77 433007.4996 640489.8501 422199.7523 404350.4591 943729.1961 388192.6777 333301.2899 889969.1492 481239.4798 709899.4712 92677.79309 23107.29293 15895.30411 131277.4583 63289.98988 32603.40668 3843.464829 76317.78905 154702.9879 Thiamine pyrophosphate 4696297.979 4306820.81 1688645.984 5140743.316 4419542.883 1856160.089 68249.81161 47714.97151 96099.65904 42331.57167 5473.113141 92377.0236 73324.2484 88609.66089 10865.56857 95470.14355 79038.81368 104877.2112 58340.38662 65201.40272 75625.59657 321228.088 332615.8026 244778.9422 thiamine-phosphate 833171.3187 601891.4295 269775.1772 675952.2255 579293.1486 377924.7382 6827.573251 797521.6456 410685.0819 1914042.803 618296.416 182154.0844 1615971.21 1312754.094 1214205.074 1296850.046 threonine 23473479.97 17862560.39 9047572.19 18773450.53 15496889.25 11540060.88 11712530.8 6668504.1 15303288.8 8446526.181 8264326.023 16321445.69 10658473.38 15280354.74 15714255.17 12641852.73 12413367.33 16802476.81 12021330.36 14108509.34 14633434.35 39108429.02 34326882.62 36265669.46 thymidine 4909.454102 4833.420239 2382.057217 thymine 105441.9633 127732.3467 65533.14288 134770.6359 152545.145 125310.8155 21057.71796 37805.23691 15067.5549 18908.89264 27057.80262 20747.5512 39707.08914 43859.72338 30592.765 74601.81822 59794.78463 84990.90744 43377.7371 72300.94881 60820.57566 91697.63953 89768.02598 107037.3501 trans, trans-farnesyl diphosphate 54072.63019 46519.57512 12418.01218 46218.62447 35381.13027 14416.83622 4955.153697 5806.485846 6547.565089 3675.310957 10629.76655 5710.181927 trehalose-6-Phosphate 238881.727 148843.8622 74974.73852 422814.1698 152682.6998 40010.56832 5076.095904 7649.277124 5995.113216 6766.955519 13507.38395 6664.370278 12232.29288 14020.34792 9339.022215 9041.341046 20731.80723 11509.29917 11511.47729 29517.0777 trehalose-sucrose 2592.486541 1579.599818 5890.100953 13204.63629 8414.206089 11737.69373 35540.18033 33800.96257 46704.89948 21018.58888 10037.42574 48174.03018 29588.04317 17254.67992 36343.75927 90836.13459 42993.76166 359062.122 63513.9916 105771.0548 108348.1253 93272.25498 103429.3604 57984.63733 tryptophan 5227582.58 7043546.821 6129898.884 5489923.261 5043834.992 4431051.049 1622779.73 960083.1811 2334718.106 1142130.145 1000757.302 2086877.227 1562555.65 1717614.514 2143587.548 1121444.58 1145029.624 1402783.186 1258205.603 1600049.826 1388828.856 3383638.686 4384785.535 4616359.72 tyrosine 8603406.747 8090472.934 4345868.667 5907178.662 5229027.21 3465911.671 3853985.775 2026108.239 4555078.224 2499300.248 2156101.232 5168632.813 3417072.663 4204577.357 5002389.871 4723892.824 4753683.621 5565207.888 4899475.976 5683702.677 5455918.902 9682183.068 9310597.398 9313541.867 UDP-D-glucose 16140290.14 18787409.73 10126531.22 22485535.52 16199715.02 14139483.05 174120.015 136930.3733 187644.3023 90439.80975 91285.47175 166500.5195 165672.6818 251679.4629 251869.9615 6054968.683 6744206.681 8671035.064 5641776.618 6354137.075 8023235.196 16323882.43 19469203.97 18116579.34 UDP-D-glucuronate 4317631.425 4491207.82 1997214.852 7586365.768 2998067.364 1726133.795 30426.41229 18594.4991 30429.05157 15214.53651 6760.451402 40574.49726 49023.46481 42260.72637 44800.13279 1123189.508 2162612.243 1588375.783 1014378.754 1837937.813 2043527.061 827435.9217 1992098.157 1916953.778 UDP-N-acetyl-glucosamine 20032469.5 14731506.62 5550849.11 16172982.59 17003935.22 4654919.674 99735.23585 57477.75181 110723.8624 35503.03576 46490.85119 65929.39876 89597.88642 88751.22405 104791.5834 4197337.147 3907426.342 5071432.483 3679786.024 4022356.206 4380221.931 7544710.214 7756613.413 6498608.848 UDP-nega 12255714.81 6931032.643 6414869.394 10331048.34 10822492.18 4001799.344 463976.9494 280045.3575 494070.9026 201943.5287 168152.1291 374557.6992 407462.5776 552156.7358 581765.7899 1818643.87 3172064.02 2496290.451 1857643.787 1851849.664 2494236.376 3663585.141 6429914.765 7471030.753 UDP-xylose 1913959.741 1776819.414 801668.5739 1838988.949 1334580.782 1485225.207 UMP 381209.3662 253246.2191 215648.52 449728.7991 370103.8594 127068.1715 2049686.236 1454712.543 2262385.346 964039.9658 1036340.873 1838896.275 2124898.83 2187808.233 2295722.661 134784.4158 175805.0351 207122.393 142346.4659 194030.7325 213884.6469 313525.4862 409020.9551 707157.1762 uracil 24145.52885 10984.21077 82388.51965 36106.96119 43749.90383 12561.63463 29667.59867 6954.779519 24233.56838 6699.664203 45154.50966 20666.74377 21758.7011 23231.19134 18294.56593 35313.15983 28686.94797 14090.10574 40989.27585 42759.01958 15649.6368 35265.1372 31882.27684 Urea 2866418.299 3723839.136 1424734.102 4138402.289 3398189.209 2006883.902 599943.9347 259796.9918 225984.0286 372730.2844 126784.9311 110457.6782 114309.4255 88488.25406 266414.042 228522.3653 170959.5569 272301.6555 176403.9014 186189.9865 278625.1527 550305.0768 540034.3953 532384.3619 Uric acid 727503.8192 1181381.893 547496.0141 759872.5223 837403.4007 658763.2924 9279.455768 8559.071294 4370.887277 15161.28339 10178.275 12683.9851 11872.46584 44966.24771 36928.84387 58381.25973 48511.33967 51693.72039 32089.40516 98419.21718 86307.21319 86605.42798 uridine 32786.80641 59204.85449 72874.59995 22920.78267 37979.15108 18316.64454 4216.219339 11886.7658 5113.862314 88817.7652 119861.6806 90362.18325 60828.43841 109723.3031 150566.4958 115560.6108 90456.09614 119251.5971 UTP-nega 89520187.17 97937468.94 19338386.16 64361827.84 73869876.2 13669820.68 3131984.484 2034743.565 3224171.956 1410989.345 1172449.92 2584551.214 2544786.01 3106659.717 3565929.659 8419282.503 11479468.67 10128250.28 7509835.626 7833297.632 10015161.07 8715579.581 27223401.6 26077316.75 valine 1758135.217 1870804.718 822387.7517 1604620.753 1355996.565 751357.2793 872403.4013 573652.7425 1159377.315 548970.9374 575828.5393 1233338.939 881143.6958 980151.4962 1290275.747 956573.887 921972.2264 1235669.377 940160.4633 1102458.221 1153098.614 2329072.277 2299206.175 2113153.425 xanthine 2568842.524 2394169.846 656366.0802 2418006.374 4047860.61 314262.2551 65021.30833 46290.28046 87909.39371 45599.60336 30935.36356 55405.34463 45518.42469 50602.14775 80563.68425 110705.18 162463.0632 178543.1069 181273.6152 236918.6322 208701.6429 317581.8112 431639.4515 420777.5958 xanthosine 1049226.838 491679.695 185128.076 729994.6033 901728.3446 181321.5082 8454.145901 6781.159776 9201.502934 6740.19314 8288.398644 41094.68606 55513.85323 51037.48485 50342.46872 41945.58629 62254.73923 90312.23816 70282.14502 81018.00755 xanthosine-5-phosphate 12586.29259 17499.41675 2525.821859 46319.22277 85913.05562 2525.861381 5071.69761 9302.208034 6762.757022 5068.980579 4869.767617 2466.705195 4109.52075 13150.80171 11512.94294 16407.94084 Xanthurenic acid 172105.6322 140853.0389 71905.72277 140005.0071 213598.4568 94229.92995 57198.46998 47331.77329 47442.78459 51519.00829 20870.32719 53955.70889 34438.34741 61702.13162 58324.83464 148183.9615 172073.6139 161732.4157 182914.6703 120796.2236 72178.60788 203411.7036 213578.8303 215795.2945 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Name Formula PubChem Identifier (KEGG/HMDB) 1-Methyl-Histidine 1-Methyl-Histidine C7H11N3O2 C01152 1-Methyladenosine 1-Methyladenosine C11H15N5O4 C02494 1,3-diphopshateglycerate 1,3-diphopshateglycerate C3H8O10P2 C00236 2-Aminooctanoic acid 2-Aminooctanoic acid C8H17NO2 HMDB00991 2-dehydro-D-gluconate 2-dehydro-D-gluconate C6H10O7 C00629 2-deoxyglucose-6-phosphate 2-deoxyglucose-6-phosphate C6H13O8P C06369 2-Hydroxy-2-methylbutanedioic acid 2-Hydroxy-2-methylbutanedioic acid C5H8O5 C02612 2-hydroxygluterate 2-hydroxygluterate C5H8O5 C02630 2-Isopropylmalic acid 2-Isopropylmalic acid C7H12O5 C02504 2-keto-isovalerate 2-keto-isovalerate C5H8O3 C00141 2-ketohaxanoic acid 2-ketohaxanoic acid C6H10O3 HMDB01864 2-oxo-4-methylthiobutanoate 2-oxo-4-methylthiobutanoate C5H8O3S C01180 2-oxobutanoate 2-oxobutanoate C4H6O3 C00109 2,3-dihydroxybenzoic acid 2,3-dihydroxybenzoic acid C7H6O4 C00196 2,3-Diphosphoglyceric acid 2,3-Diphosphoglyceric acid C3H8O10P2 C01159 3-hydroxy-3-methylglutaryl-CoA-nega 3-hydroxy-3-methylglutaryl-CoA-nega C27H44N7O20P3S C00356 3-hydroxybuterate 3-hydroxybuterate C4H8O3 C01089 3-hydroxybutyryl-CoA 3-hydroxybutyryl-CoA C25H42N7O18P3S C01144 3-methylphenylacetic acid 3-methylphenylacetic acid C9H10O2 HMDB02222 3-phospho-serine 3-phospho-serine C3H8NO6P C01005 3-phosphoglycerate 3-phosphoglycerate C3H7O7P C00197 3-S-methylthiopropionate 3-S-methylthiopropionate C4H8O2S C08276 4-aminobutyrate 4-aminobutyrate C4H9NO2 C00334 4-phosphopantothenate 4-phosphopantothenate C9H18NO8P C03492 4-Pyridoxic acid 4-Pyridoxic acid C8H9NO4 C00847 5-methoxytryptophan 5-methoxytryptophan C12H14N2O3 HMDB02339 5-methyl-THF 5-methyl-THF C20H25N7O6 C00440 5-phosphoribosyl-1-pyrophosphate 5-phosphoribosyl-1-pyrophosphate C5H13O14P3 C00119 6-phospho-D-gluconate 6-phospho-D-gluconate C6H13O10P C00345 7-methylguanosine 7-methylguanosine C11H16N5O5 HMDB01107 7,8-dihydrofolate 7,8-dihydrofolate C19H21N7O6 C00415 a-ketoglutarate a-ketoglutarate C5H6O5 C00026 acadesine acadesine C9H14N4O5 D02742 acetoacetate acetoacetate C4H6O3 C00164 acetoacetyl-CoA-nega acetoacetyl-CoA C25H40N7O18P3S C00332 acetoacetyl-CoA-posi acetoacetyl-CoA C25H40N7O18P3S C00332 acetyl-CoA-nega acetyl-CoA C23H38N7O17P3S C00024 acetyl-CoA-posi acetyl-CoA C23H38N7O17P3S C00024 Acetylcarnitine DL Acetylcarnitine DL C9H18NO4 C02571 Acetyllysine Acetyllysine C8H16N2O3 C02727 acetylphosphate acetylphosphate C2H5O5P C00227 aconitate aconitate C6H6O6 C00417 adenine adenine C5H5N5 C00147 adenosine adenosine C10H13N5O4 C00212 adenosine 5-phosphosulfate adenosine 5-phosphosulfate C10H14N5O10PS C00224 Adenylosuccinate Adenylosuccinate C14H18N5O11P C03794 ADP-D-glucose ADP-D-glucose C16H25N5O15P2 C00498 ADP-nega ADP-nega C10H15N5O10P2 C00008 alanine alanine C3H7NO2 C00041 allantoate allantoate C4H8N4O4 C00499 allantoin allantoin C4H6N4O3 C01551 Aminoadipic acid Aminoadipic acid C6H11NO4 C00956 aminoimidazole carboxamide ribonucleotide aminoimidazole carboxamide ribonucleotide C9H15N4O8P C04677 AMP AMP C10H14N5O7P C00020 anthranilate anthranilate C7H7NO2 C00108 arginine arginine C6H14N4O2 C00062 arginosuccinic acid arginosuccinic acid C10H18N4O6 C03406 Ascorbic acid Ascorbic acid C6H8O6 C00072 asparagine asparagine C4H8N2O3 C00152 aspartate aspartate C4H7NO4 C00049 ATP-nega ATP-nega C10H16N5O13P3 C00002 Atrolactic acid Atrolactic acid C9H10O3 HMDB00475 betaine betaine C5H11NO2 C00719 betaine aldehyde betaine aldehyde C5H12NO C00576 biotin biotin C10H16N2O3S C00120 butyryl-CoA butyryl-CoA C25H42N7O17P3S C00630 Carbamoyl phosphate Carbamoyl phosphate CH4NO5P C00169 carnitine carnitine C7H15NO3 C00318 CDP-choline CDP-choline C14H27N4O11P2 C00307 CDP-ethanolamine CDP-ethanolamine C11H20N4O11P2 C00570 CDP-nega CDP-nega C9H15N3O11P2 C00112 Cellobiose Cellobiose C12H22O11 C00185 cholesterol cholesterol  C27H46O C00187 cholesteryl sulfate cholesteryl sulfate C27H46O4S HMDB00653 Cholic acid Cholic acid C24H40O5 C00695 choline choline C5H14NO C00114 Citraconic acid Citraconic acid C5H6O4 C02226 citrate citrate C6H8O7 C00158 citrate-isocitrate citrate-isocitrate C6H8O7 C00158 citrulline citrulline C6H13N3O3 C00327 CMP CMP C9H14N3O8P C00055 coenzyme A-nega coenzyme A C21H36N7O16P3S C00010 coenzyme A-posi coenzyme A C21H36N7O16P3S C00010 creatine creatine C4H9N3O2 C00300 Creatinine Creatinine C4H7N3O C00791 CTP-nega CTP-nega C9H16N3O14P3 C00063 cyclic bis(3->5) dimeric GMP cyclic bis(3->5) dimeric GMP C20H24N10O14P2 C16463 cyclic-AMP cyclic-AMP C10H12N5O6P C00575 cystathionine cystathionine C7H14N2O4S C02291 cysteine cysteine C6H12N2O4S2 C00491 cysteine sulfinate cysteine sulfinate C3H7NO4S  C00606 Cystine Cystine C6H12N2O4S2 C00491 cytidine cytidine C9H13N3O5 C00475 cytosine cytosine C4H5N3O C00380 D-erythrose-4-phosphate D-erythrose-4-phosphate C4H9O7P C00279 D-glucarate D-glucarate C6H10O8 C00818 D-gluconate D-gluconate C6H12O7 C00257 D-glucono-?-lactone-6-phosphate D-glucono-?-lactone-6-phosphate C6H11O9P C01236 D-glucosamine-1-phosphate D-glucosamine-1-phosphate C6H14NO8P C00352 D-glucosamine-6-phosphate D-glucosamine-6-phosphate C6H14NO8P C00352 D-glyceraldehdye-3-phosphate D-glyceraldehdye-3-phosphate C3H7O6P C00118 D-sedoheptulose-1-7-phosphate D-sedoheptulose-1-7-phosphate C7H15O10P C05382 dAMP dAMP C10H14N5O6P C00360 dATP-nega dATP-nega C10H16N5O12P3 C00131 dCDP-nega dCDP-nega C9H15N3O10P2 C00705 dCMP dCMP C9H14N3O7P C00239 dCTP-nega dCTP-nega C9H16N3O13P3 C00458 dehydroascorbic acid dehydroascorbic acid C6H6O6 C05422 deoxyadenosine deoxyadenosine C10H13N5O3 C00559 Deoxycholic acid Deoxycholic acid C26H43NO5 C04483 deoxyguanosine deoxyguanosine C10H13N5O4 C00330 deoxyinosine deoxyinosine C10H12N4O4 C05512 deoxyribose-phosphate deoxyribose-phosphate C5H11O7P C00673 deoxyuridine deoxyuridine C9H12N2O5 C00526 dephospho-CoA-nega dephospho-CoA C21H35N7O13P2S C00882 dephospho-CoA-posi dephospho-CoA C21H35N7O13P2S C00882 dGDP-nega dGDP-nega C10H15N5O10P2 C00361 dGMP dGMP C10H14N5O7P C00362 dGTP dGTP C10H16N5O13P3 C00286 dihydroorotate dihydroorotate C5H6N2O4 C00337 dihydroxy-acetone-phosphate dihydroxy-acetone-phosphate C3H7O6P C00111 Diiodothyronine Diiodothyronine C15H13I2NO4 HMDB00582 dimethylglycine dimethylglycine C4H9NO2 C01026 DL-Pipecolic acid DL-Pipecolic acid C6H11NO2 C00408 dTDP-nega dTDP C10H16N2O11P2 C00363 dTMP dTMP C10H15N2O8P C00364 dTMP-nega dTMP C10H15N2O8P C00364 dTTP-nega dTTP C10H17N2O14P3 C00459 dUMP-nega dUMP C9H13N2O8P C00365 dUTP-nega dUTP C9H15N2O14P3 C00460 ethanolamine ethanolamine C2H7NO C00189 FAD FAD C27H33N9O15P2 C00016 Flavone Flavone C15H10O2 C15608 FMN FMN C17H21N4O9P C00061 folate folate C19H19N7O6 C00504 fructose-1,6-bisphosphate fructose-1,6-bisphosphate C6H14O12P2 C05378 fructose-6-phosphate fructose-6-phosphate C6H13O9P C05345 fumarate fumarate C4H4O4 C00122 GDP-nega GDP-nega C10H15N5O11P2 C00035 Geranyl-PP Geranyl-PP C10H20O7P2 C00341 glucono-?-lactone glucono-?-lactone C6H10O6 C00198 glucosamine glucosamine C6H13NO5 C00329 glucose-1-phosphate glucose-1-phosphate C6H13O9P C00103 glucose-6-phosphate glucose-6-phosphate C6H13O9P C00668 glutamate glutamate C5H9NO4 C00025 glutamine glutamine C5H10N2O3 C00064 glutathione glutathione C10H17N3O6S C00051 glutathione disulfide-nega glutathione disulfide C20H32N6O12S2 C00127 glutathione disulfide-posi glutathione disulfide C20H32N6O12S2 C00127 glutathione-nega glutathione C10H17N3O6S C00051 gluterate gluterate C5H8O4 C00489 glycerate glycerate C3H6O4 C00258 glycerol 3-phosphate glycerol 3-phosphate C3H9O6P C00093 Glycerophosphocholine Glycerophosphocholine C8H21NO6P C00670 glycine glycine C2H5NO2 C00037 glycolate glycolate C2H4O3 C00160 glyoxylate glyoxylate C2H2O3 C00048 GMP GMP C10H14N5O8P C00144 GTP-nega GTP C10H16N5O13P3 C00044 Guanidoacetic acid Guanidoacetic acid C3H7N3O2 C00581 guanine guanine C5H5N5O C00242 guanosine guanosine C10H13N5O5 C00387 guanosine 5-diphosphate,3-diphosphate guanosine 5-diphosphate,3-diphosphate C10H11N5O17P4 C01228 hexose-phosphate hexose-phosphate C6H13O9P C05345 histidine histidine C6H9N3O2 C00135 histidinol histidinol C6H11N3O C00860 HMG-CoA_pos HMG-CoA C27H44N7O20P3S C00356                       homocysteic acid homocysteic acid C4H9NO5S C16511 homocysteine homocysteine C4H9NO2S C00155 homoserine homoserine C4H9NO3 C00263 Hydroxyisocaproic acid Hydroxyisocaproic acid C6H12O3 HMDB00746 Hydroxyphenylacetic acid Hydroxyphenylacetic acid C8H8O3 C05852 hydroxyphenylpyruvate hydroxyphenylpyruvate C9H8O4 C01179 hydroxyproline hydroxyproline C5H9NO3 C01157 hypoxanthine hypoxanthine C5H4N4O C00262 IDP-nega IDP-nega C10H14N4O11P2 C00104 Imidazole Imidazole C3H4N2 C01589 Imidazoleacetic acid Imidazoleacetic acid C6H8N2O2 C02835 IMP IMP C10H13N4O8P C00130 indole indole C8H7N C00463 Indole-3-carboxylic acid Indole-3-carboxylic acid C9H7NO2 HMDB03320 Indoleacrylic acid Indoleacrylic acid C11H9NO2 HMDB00734 inosine inosine C10H12N4O5 C00294 isocitrate isocitrate C6H8O7 C00311 itaconic acid itaconic acid C5H6O4 HMDB0002092 Kynurenic acid Kynurenic acid C10H7NO3 C01717 Kynurenine Kynurenine C10H12N2O3 C00328 L-arginino-succinate L-arginino-succinate C10H18N4O6 C03406 lactate lactate C3H6O3 C00186 leucine-isoleucine leucine-isoleucine C6H13NO2 C00123 lipoate lipoate C8H14O2S2 C00725 lysine lysine C6H14N2O2 C00047 malate malate C4H6O5 C00149 Maleic acid Maleic acid C4H4O4 C01384 malonyl-CoA-nega malonyl-CoA C24H38N7O19P3S C00083 malonyl-CoA-posi malonyl-CoA C24H38N7O19P3S C00083 methionine methionine C5H11NO2S C00073 Methionine sulfoxide Methionine sulfoxide C5H11NO3S HMDB02005 Methylcysteine Methylcysteine C4H9NO2S HMDB0002108 Methylmalonic acid Methylmalonic acid C4H6O4 C02170 methylnicotinamide methylnicotinamide C7H9N2O C02918 mevalonate Mevalonate C6H12O4 C00418 myo-inositol myo-inositol C6H12O6 C00137 N-acetyl spermidine N-acetyl spermidine C9H21N3O C00612 N-acetyl spermine N-acetyl spermine C12H28N4O C02567 N-acetyl-aspartylglutamic acid N-acetyl-aspartylglutamic acid C11H16N2O8 C12270 N-acetyl-glucosamine N-acetyl-glucosamine C8H15NO6 C00140 N-acetyl-glucosamine-1-phosphate N-acetyl-glucosamine-1-phosphate C6H14NO8P C04256 N-acetyl-glutamate N-acetyl-glutamate C7H11NO5 C00624 N-acetyl-glutamine N-acetyl-glutamine C7H12N2O4 HMDB06029 N-Acetyl-L-alanine N-Acetyl-L-alanine C5H9NO3 C01073 N-acetyl-L-alanine1 N-acetyl-L-alanine1 N-acetyl-L-aspartic acid N-acetyl-L-aspartic acid C6H9NO5 C01042 N-acetyl-L-ornithine N-acetyl-L-ornithine C7H14N2O3 C00437 N-acetylaspartylglutamic acid N-acetylaspartylglutamic acid C11H16N2O8 C12270 N-Acetylputrescine N-Acetylputrescine C6H14N2O C02714 N-carbamoyl-L-aspartate N-carbamoyl-L-aspartate C5H8N2O5 C00438 N-carbamoyl-L-aspartate-nega N-carbamoyl-L-aspartate C5H8N2O5 C00438 N1-Methyl-2_2-pyridone-3_5-carboximide N1-Methyl-2_2-pyridone-3_5-carboximide C7H8N2O2 C05842 N1-Methyl-2_4-pyridone-3_5-carboximide N1-Methyl-2_4-pyridone-3_5-carboximide C7H8N2O2 C05843 N6-Acetyl-L-lysine N6-Acetyl-L-lysine C8H16N2O3 C02727 NAD+_nega NAD+ C21H27N7O14P2 C00003 NAD+_posi NAD+ C21H27N7O14P2 C00003 NADH NADH C21H29N7O14P2 C00004 NADH-nega NADH C21H29N7O14P2 C00004 NADP+_nega NADP+ C21H28N7O17P3 C00006 NADP+_posi NADP+ C21H28N7O17P3 C00006 NADPH NADPH C21H30N7O17P3 C00005 NADPH-nega NADPH C21H30N7O17P3 C00005 Ng,NG-dimethyl-L-arginine Ng,NG-dimethyl-L-arginine C8H18N4O2 C03626 nicotinamide nicotinamide C6H6N2O C00153 Nicotinamide Riboside nicotinamide riboside C11H15N2O5 C03150 Nicotinamide ribotide Nicotinamide ribotide C11H15N2O8P C00455 nicotinate nicotinate C6H5NO2 C00253 O-acetyl-L-serine O-acetyl-L-serine C5H9NO4 C00979 O8P-O1P O8P-O1P (octulose-8-phosphate) C5H11O8P OBP octulose-1,8-bisphosphate (OBP) C5H11O8P ornithine ornithine C5H12N2O2 C00077 orotate orotate C5H4N2O4 C00295 orotidine-5-phosphate orotidine-5-phosphate C10H13N2O11P C01103 oxaloacetate oxaloacetate C4H4O5 C00036 p-aminobenzoate p-aminobenzoate C7H7NO2 C00568 p-hydroxybenzoate p-hydroxybenzoate C7H6O3 C00156 pantothenate pantothenate C9H17NO5 C00864 phenylalanine phenylalanine C9H11NO2 C00079 Phenyllactic acid Phenyllactic acid C9H10O3 C01479 Phenylpropiolic acid Phenylpropiolic acid C9H6O2 HMDB00563 phenylpyruvate phenylpyruvate C9H8O3 C00166 phosphocreatine Phosphocreatine C4H10N3O5P C02305 phosphoenolpyruvate phosphoenolpyruvate C3H5O6P C00074 Phosphorylcholine Phosphorylcholine C5H15NO4P C00588 prephenate prephenate C10H10O6 C00254 proline proline C5H9NO2 C00148 propionyl-CoA-nega propionyl-CoA C24H40N7O17P3S C00100 propionyl-CoA-posi propionyl-CoA C24H40N7O17P3S C00100 purine purine C5H4N4 C00465 putrescine putrescine C4H12N2 C00134 Pyridoxamine Pyridoxamine C8H12N2O2 C00534 pyridoxine pyridoxine C8H11NO3 C00314 Pyroglutamic acid Pyroglutamic acid C5H7NO3 C01879 Pyrophosphate Pyrophosphate P2H4O7 C00013 pyruvate pyruvate C3H4O3 C00022 quinolinate quinolinate C7H5NO4 C03722 retinoic acid retinoic acid C20H28O2 C00777 riboflavin riboflavin C17H20N4O6 C00255 ribose-phosphate ribose-phosphate C5H11O8P C00117 S-adenosyl-L-homocysteine-nega S-adenosyl-L-homocysteine C14H20N6O5S C00021 S-adenosyl-L-homoCysteine-posi S-adenosyl-L-homocysteine C14H20N6O5S C00021 S-adenosyl-L-methioninamine S-adenosyl-L-methioninamine C14H23N6O3S C01137 S-adenosyl-L-methionine S-adenosyl-L-methionine C15H22N6O5S C00019 S-methyl-5-thioadenosine S-methyl-5-thioadenosine C11H15N5O3S C00170 S-ribosyl-L-homocysteine-nega S-ribosyl-L-homocysteine C9H17NO6S C03539 S-ribosyl-L-homocysteine-posi S-ribosyl-L-homocysteine C9H17NO6S C03539 sarcosine sarcosine C3H7NO2 C00213                       SBP sedoheptulose 1,7-bisphosphate (SBP) C7H16O13P2 C00447                       serine serine C3H7NO3 C00065 shikimate shikimate C7H10O5 C00493 shikimate-3-phosphate shikimate-3-phosphate C7H11O8P C03175 sn-glycerol-3-phosphate sn-glycerol-3-phosphate C3H9O6P C00093 sorbitol sorbitol C6H14O6 C00794 spermidine spermidine C7H19N3 C00315 spermine spermine C10H26N4 C00750 succinate succinate C4H6O4 C00042 succinyl-CoA-methylmalonyl-CoA-nega succinyl-CoA-methylmalonyl-CoA C25H40N7O19P3S C00091 succinyl-CoA-posi succinyl-CoA-posi C25H40N7O19P3S C00091 taurine taurine C2H7NO3S C00245 Taurodeoxycholic acid Taurodeoxycholic acid C26H45NO6S C05463 thiamine thiamine C12H16N4OS C00378 Thiamine pyrophosphate Thiamine pyrophosphate C12H19N4O7P2S C00068 thiamine-phosphate thiamine-phosphate C12H17N4O4PS C01081 threonine threonine C4H9NO3 C00188 thymidine thymidine C10H14N2O5 C00214 thymine thymine C5H6N2O2 C00178 trans, trans-farnesyl diphosphate trans, trans-farnesyl diphosphate C15H28O7P2 C00448 trehalose-6-Phosphate trehalose-6-Phosphate C12H23O14P C00689 trehalose-sucrose trehalose-sucrose C12H22O11 C00089 tryptophan tryptophan C11H12N2O2 C00078 tyrosine tyrosine C9H11NO3 C00082 UDP-D-glucose UDP-D-glucose C15H24N2O17P2 C00029 UDP-D-glucuronate UDP-D-glucuronate C15H22N2O18P2 C00167 UDP-N-acetyl-glucosamine UDP-N-acetyl-glucosamine C17H27N3O17P2 C00043 UDP-nega UDP-nega C9H14N2O12P2 C00015 UDP-xylose UDP-xylose C14H22N2O16P2 C00190                       UMP UMP C9H13N2O9P C00105 uracil uracil C4H4N2O2 C00106 Urea Urea CH4N2O C00086 Uric acid Uric acid C5H4N4O3 C00366 uridine uridine C9H12N2O6 C00299 UTP-nega UTP-nega C9H15N2O15P3 C00075 valine valine C5H11NO2 C00183 xanthine xanthine C5H4N4O2 C00385 xanthosine xanthosine C10H12N4O6 C01762 xanthosine-5-phosphate xanthosine-5-phosphate C10H13N4O9P C00655 Xanthurenic acid Xanthurenic acid C10H7NO4 C02470 METABOLITES_END #END