#METABOLOMICS WORKBENCH metabolic_charlie_20220511_212306 DATATRACK_ID:3244 STUDY_ID:ST002163 ANALYSIS_ID:AN003544 PROJECT_ID:PR001376 VERSION 1 CREATED_ON May 13, 2022, 7:22 am #PROJECT PR:PROJECT_TITLE Remote solid cancers rewire hepatic nitrogen metabolism via host PR:PROJECT_TITLE nicotinamide-N-methyltransferase PR:PROJECT_SUMMARY Cancers disrupt host homeostasis in various manners but the identity of host PR:PROJECT_SUMMARY factors underlying such disruption remains largely unknown. Here we show that PR:PROJECT_SUMMARY nicotinamide-N-methyltransferase (NNMT) is a novel host factor that mediates PR:PROJECT_SUMMARY metabolic dysfunction in the livers of cancer-bearing mice. Multiple solid PR:PROJECT_SUMMARY cancers distantly increase expression of Nnmt and its product PR:PROJECT_SUMMARY 1-methylnicotinamide (MNAM) in the liver. Multi-omics analyses reveal PR:PROJECT_SUMMARY suppression of the urea cycle accompanied by accumulation of amino acids, and PR:PROJECT_SUMMARY enhancement of uracil biogenesis in the livers of cancer-bearing mice. PR:PROJECT_SUMMARY Importantly, genetic deletion of Nnmt leads to alleviation of these metabolic PR:PROJECT_SUMMARY abnormalities, and buffers cancer-dependent weight loss and reduction of the PR:PROJECT_SUMMARY voluntary wheel-running activity. Our data also demonstrate that MNAM is capable PR:PROJECT_SUMMARY of affecting urea cycle metabolites in the liver. These results suggest that PR:PROJECT_SUMMARY cancers up-regulate the hepatic NNMT pathway to rewire liver metabolism towards PR:PROJECT_SUMMARY uracil biogenesis rather than nitrogen disposal via the urea cycle, thereby PR:PROJECT_SUMMARY disrupting host homeostasis. PR:INSTITUTE Tohoku University PR:LAST_NAME Kawaoka PR:FIRST_NAME Shinpei PR:ADDRESS 4-1 Seiryo-cho, Sendai, Miyagi, 9808575, Japan PR:EMAIL kawaokashinpei@gmail.com PR:PHONE 0227178568 #STUDY ST:STUDY_TITLE Remote solid cancers rewire hepatic nitrogen metabolism via host ST:STUDY_TITLE nicotinamide-N-methyltransferase ST:STUDY_SUMMARY Cancers disrupt host homeostasis in various manners but the identity of host ST:STUDY_SUMMARY factors underlying such disruption remains largely unknown. Here we show that ST:STUDY_SUMMARY nicotinamide-N-methyltransferase (NNMT) is a novel host factor that mediates ST:STUDY_SUMMARY metabolic dysfunction in the livers of cancer-bearing mice. Multiple solid ST:STUDY_SUMMARY cancers distantly increase expression of Nnmt and its product ST:STUDY_SUMMARY 1-methylnicotinamide (MNAM) in the liver. Multi-omics analyses reveal ST:STUDY_SUMMARY suppression of the urea cycle accompanied by accumulation of amino acids, and ST:STUDY_SUMMARY enhancement of uracil biogenesis in the livers of cancer-bearing mice. ST:STUDY_SUMMARY Importantly, genetic deletion of Nnmt leads to alleviation of these metabolic ST:STUDY_SUMMARY abnormalities, and buffers cancer-dependent weight loss and reduction of the ST:STUDY_SUMMARY voluntary wheel-running activity. Our data also demonstrate that MNAM is capable ST:STUDY_SUMMARY of affecting urea cycle metabolites in the liver. These results suggest that ST:STUDY_SUMMARY cancers up-regulate the hepatic NNMT pathway to rewire liver metabolism towards ST:STUDY_SUMMARY uracil biogenesis rather than nitrogen disposal via the urea cycle, thereby ST:STUDY_SUMMARY disrupting host homeostasis. Anionic polar metabolites (i.e., organic acids, ST:STUDY_SUMMARY sugar phosphates, nucleotides,etc.) were analyzed via IC/HR/MS/MS. Cationic ST:STUDY_SUMMARY polar metabolites (i.e., amino acids, bases, nucleosides, NAM, SAM, MNAM, SAH, ST:STUDY_SUMMARY me2PY, me4PY, etc) were analyzed via PFPP-LC/HR/MS/MS. ST:INSTITUTE Tohoku University ST:LAST_NAME Kawaoka ST:FIRST_NAME Shinpei ST:ADDRESS 4-1, Seiryou-machi, Aoba-ku, Sendai ST:EMAIL kawaokashinpei@gmail.com ST:PHONE 0227178443 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 190428 L1 Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L1 SUBJECT_SAMPLE_FACTORS 190428 L2 Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L2 SUBJECT_SAMPLE_FACTORS 190428 L3 Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L3 SUBJECT_SAMPLE_FACTORS 190428 L4 Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L4 SUBJECT_SAMPLE_FACTORS 190428 L49 Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L49 SUBJECT_SAMPLE_FACTORS 190428 L5 Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L5 SUBJECT_SAMPLE_FACTORS 190428 L6 Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L6 SUBJECT_SAMPLE_FACTORS 190428 L7 Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L7 SUBJECT_SAMPLE_FACTORS 190428 L8 Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L8 SUBJECT_SAMPLE_FACTORS 190428 L50 Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L50 SUBJECT_SAMPLE_FACTORS 190428 L9 Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L9 SUBJECT_SAMPLE_FACTORS 190428 L10 Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L10 SUBJECT_SAMPLE_FACTORS 190428 L11 Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L11 SUBJECT_SAMPLE_FACTORS 190428 L12 Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L12 SUBJECT_SAMPLE_FACTORS 190428 L52 Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L52 SUBJECT_SAMPLE_FACTORS 190428 L13 Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L13 SUBJECT_SAMPLE_FACTORS 190428 L14 Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L14 SUBJECT_SAMPLE_FACTORS 190428 L15 Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L15 SUBJECT_SAMPLE_FACTORS 190428 L16 Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L16 SUBJECT_SAMPLE_FACTORS 190428 L51 Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L51 SUBJECT_SAMPLE_FACTORS 201215 L1_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L1_MNAM SUBJECT_SAMPLE_FACTORS 201215 L2_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L2_MNAM SUBJECT_SAMPLE_FACTORS 201215 L3_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L3_MNAM SUBJECT_SAMPLE_FACTORS 201215 L4_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment RAW_FILE_NAME=L4_MNAM SUBJECT_SAMPLE_FACTORS 201215 L5_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L5_MNAM SUBJECT_SAMPLE_FACTORS 201215 L6_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L6_MNAM SUBJECT_SAMPLE_FACTORS 201215 L7_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L7_MNAM SUBJECT_SAMPLE_FACTORS 201215 L8_MNAM Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L8_MNAM SUBJECT_SAMPLE_FACTORS 201215 L9_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L9_MNAM SUBJECT_SAMPLE_FACTORS 201215 L10_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L10_MNAM SUBJECT_SAMPLE_FACTORS 201215 L11_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L11_MNAM SUBJECT_SAMPLE_FACTORS 201215 L12_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment RAW_FILE_NAME=L12_MNAM SUBJECT_SAMPLE_FACTORS 201215 L13_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L13_MNAM SUBJECT_SAMPLE_FACTORS 201215 L14_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L14_MNAM SUBJECT_SAMPLE_FACTORS 201215 L15_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L15_MNAM SUBJECT_SAMPLE_FACTORS 201215 L16_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L16_MNAM SUBJECT_SAMPLE_FACTORS 201215 L17_MNAM Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment RAW_FILE_NAME=L17_MNAM #COLLECTION CO:COLLECTION_SUMMARY Mouse livers were crushed in liquid-nitrogen and homogenized. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Daily 250 mg/kg MNAM injection for 12 days in the absence (sham) and presence TR:TREATMENT_SUMMARY (4T1cancers). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted from the frozen livers (approximately 5 mg) using the SP:SAMPLEPREP_SUMMARY Bligh and Dyer’s method with some modifications. Briefly, each sample was SP:SAMPLEPREP_SUMMARY mixed with 1 mL of cold methanol containing 10-camphorsulfonic acid (1.5 nmol) SP:SAMPLEPREP_SUMMARY and piperazine-1,4-bis (2-ethanesulfonic acid) (PIPES, 1.5 nmol) as internal SP:SAMPLEPREP_SUMMARY standards for mass spectrometry-based metabolomic analysis. The samples were SP:SAMPLEPREP_SUMMARY vigorously mixed by vortexing for 1 min followed by 5 min of sonication. The SP:SAMPLEPREP_SUMMARY extracts were then centrifuged at 16,000 × g for 5 min at 4 °C, and the SP:SAMPLEPREP_SUMMARY resultant supernatant (400 uL) was collected. After mixing 400 uL of supernatant SP:SAMPLEPREP_SUMMARY with 400 uL of chloroform and 320 uL of water, the aqueous and organic layers SP:SAMPLEPREP_SUMMARY were separated by vortexing and subsequent centrifugation at 16,000 × g and 4 SP:SAMPLEPREP_SUMMARY °C for 5 min. The aqueous (upper) layer (500 uL) was transferred into a clean SP:SAMPLEPREP_SUMMARY tube. After the aqueous layer extracts were evaporated under vacuum, the dried SP:SAMPLEPREP_SUMMARY extracts were stored at −80 °C until the analysis of hydrophilic metabolites. SP:SAMPLEPREP_SUMMARY Prior to analysis, the dried aqueous layer was reconstituted in 50 uL of water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Anionic polar metabolites (i.e., organic acids, sugar phosphates, nucleotides, CH:CHROMATOGRAPHY_SUMMARY etc.) were analyzed via IC/HRMS/MS. CH:CHROMATOGRAPHY_TYPE Other CH:INSTRUMENT_NAME Dionex ICS-5000+ HPIC system CH:COLUMN_NAME Dionex IonPac AS11-HC (2 um i.d. × 250 mm, 4 um particle size) #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Bamba lab. AN:OPERATOR_NAME Masatomo Takahashi #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples L1 L2 L3 L4 L49 L5 L6 L7 L8 L50 L9 L10 L11 L12 L52 L13 L14 L15 L16 L51 L1_MNAM L2_MNAM L3_MNAM L4_MNAM L5_MNAM L6_MNAM L7_MNAM L8_MNAM L9_MNAM L10_MNAM L11_MNAM L12_MNAM L13_MNAM L14_MNAM L15_MNAM L16_MNAM L17_MNAM Factors Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:NNMT KO | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:No treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:Sham | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:No treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment Genotype:WT | Sample group:4T1 | Sex:female | Treatment:MNAM treatment 10-Camphorsulfonic acid (IS) 5.E+08 6.E+08 3.E+08 4.E+08 3.E+08 2.E+08 3.E+08 5.E+08 2.E+08 2.E+08 2.E+08 2.E+08 3.E+08 3.E+08 2.E+08 4.E+08 5.E+08 4.E+08 3.E+08 2.E+08 5.E+08 4.E+08 5.E+08 4.E+08 4.E+08 4.E+08 4.E+08 5.E+08 4.E+08 4.E+08 4.E+08 4.E+08 4.E+08 4.E+08 4.E+08 4.E+08 4.E+08 PIPES (IS) 9.E+07 1.E+08 7.E+07 8.E+07 6.E+07 5.E+07 5.E+07 8.E+07 5.E+07 4.E+07 4.E+07 5.E+07 7.E+07 6.E+07 5.E+07 7.E+07 8.E+07 7.E+07 6.E+07 4.E+07 9.E+07 8.E+07 8.E+07 8.E+07 8.E+07 8.E+07 8.E+07 8.E+07 8.E+07 7.E+07 7.E+07 7.E+07 7.E+07 8.E+07 7.E+07 7.E+07 7.E+07 2KG 5.E+08 5.E+08 4.E+08 4.E+08 4.E+08 3.E+08 4.E+08 5.E+08 3.E+08 3.E+08 3.E+08 3.E+08 4.E+08 5.E+08 4.E+08 4.E+08 5.E+08 4.E+08 4.E+08 4.E+08 - - - - - - - - - - - - - - - - - 3-Hydroxybutyric acid 8.E+07 6.E+07 6.E+07 9.E+07 5.E+07 5.E+07 7.E+07 8.E+07 6.E+07 6.E+07 3.E+07 1.E+08 8.E+07 9.E+07 5.E+07 1.E+08 1.E+08 1.E+08 6.E+07 3.E+07 - - - - - - - - - - - - - - - - - 6PG 9.E+07 1.E+08 5.E+07 7.E+07 6.E+07 1.E+08 2.E+08 2.E+08 1.E+08 1.E+08 5.E+07 7.E+07 9.E+07 6.E+07 5.E+07 2.E+08 2.E+08 2.E+08 2.E+08 1.E+08 - - - - - - - - - - - - - - - - - ADP 4.E+08 4.E+08 3.E+08 3.E+08 2.E+08 2.E+08 2.E+08 3.E+08 2.E+08 2.E+08 2.E+08 3.E+08 3.E+08 3.E+08 2.E+08 4.E+08 4.E+08 3.E+08 3.E+08 2.E+08 - - - - - - - - - - - - - - - - - ADP-Glc 7.E+06 8.E+06 4.E+06 6.E+06 3.E+06 3.E+06 4.E+06 3.E+06 2.E+06 3.E+06 4.E+06 2.E+06 4.E+06 5.E+06 3.E+06 7.E+06 7.E+06 4.E+06 3.E+06 4.E+06 - - - - - - - - - - - - - - - - - ADP-Rib 2.E+08 2.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 2.E+08 1.E+08 9.E+07 1.E+08 2.E+08 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 2.E+08 1.E+08 1.E+08 - - - - - - - - - - - - - - - - - AMP 1.E+09 1.E+09 7.E+08 1.E+09 8.E+08 7.E+08 8.E+08 1.E+09 7.E+08 6.E+08 8.E+08 9.E+08 1.E+09 1.E+09 7.E+08 1.E+09 1.E+09 9.E+08 7.E+08 7.E+08 - - - - - - - - - - - - - - - - - ATP 1.E+08 1.E+08 8.E+07 9.E+07 7.E+07 6.E+07 7.E+07 1.E+08 5.E+07 6.E+07 5.E+07 1.E+08 7.E+07 9.E+07 5.E+07 1.E+08 1.E+08 1.E+08 8.E+07 6.E+07 - - - - - - - - - - - - - - - - - CDP 1.E+06 1.E+06 7.E+05 1.E+06 7.E+05 1.E+06 1.E+06 2.E+06 1.E+06 9.E+05 7.E+05 8.E+05 9.E+05 1.E+06 6.E+05 2.E+06 2.E+06 2.E+06 2.E+06 7.E+05 - - - - - - - - - - - - - - - - - cis-Aco 2.E+07 2.E+07 1.E+07 2.E+07 1.E+07 9.E+06 1.E+07 2.E+07 8.E+06 1.E+07 8.E+06 1.E+07 1.E+07 2.E+07 9.E+06 2.E+07 3.E+07 2.E+07 1.E+07 8.E+06 - - - - - - - - - - - - - - - - - Cit 7.E+08 7.E+08 4.E+08 6.E+08 4.E+08 3.E+08 4.E+08 5.E+08 3.E+08 3.E+08 3.E+08 5.E+08 5.E+08 6.E+08 3.E+08 6.E+08 7.E+08 6.E+08 4.E+08 3.E+08 - - - - - - - - - - - - - - - - - CoA 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - CTP 2.E+05 2.E+05 1.E+05 1.E+05 1.E+05 2.E+05 2.E+05 4.E+05 2.E+05 2.E+05 7.E+04 1.E+05 8.E+04 1.E+05 6.E+04 4.E+05 4.E+05 4.E+05 3.E+05 9.E+04 - - - - - - - - - - - - - - - - - FBP 4.E+07 5.E+07 2.E+07 4.E+07 3.E+07 3.E+07 5.E+07 7.E+07 4.E+07 8.E+07 2.E+07 5.E+07 2.E+07 4.E+07 2.E+07 1.E+08 1.E+08 9.E+07 7.E+07 4.E+07 - - - - - - - - - - - - - - - - - F6P 1.E+08 1.E+08 8.E+07 1.E+08 8.E+07 2.E+07 3.E+07 5.E+07 1.E+07 5.E+07 1.E+08 9.E+07 1.E+08 1.E+08 8.E+07 6.E+07 6.E+07 4.E+07 3.E+07 5.E+07 - - - - - - - - - - - - - - - - - Gluconic acid 6.E+08 7.E+08 4.E+08 5.E+08 5.E+08 3.E+08 4.E+08 6.E+08 3.E+08 4.E+08 5.E+08 6.E+08 7.E+08 7.E+08 5.E+08 6.E+08 7.E+08 6.E+08 5.E+08 4.E+08 - - - - - - - - - - - - - - - - - G1P 5.E+07 5.E+07 3.E+07 4.E+07 3.E+07 1.E+07 1.E+07 2.E+07 8.E+06 2.E+07 3.E+07 3.E+07 4.E+07 3.E+07 3.E+07 2.E+07 2.E+07 2.E+07 1.E+07 2.E+07 - - - - - - - - - - - - - - - - - G6P 5.E+08 4.E+08 3.E+08 3.E+08 3.E+08 7.E+07 9.E+07 2.E+08 5.E+07 2.E+08 3.E+08 3.E+08 4.E+08 3.E+08 3.E+08 2.E+08 2.E+08 1.E+08 1.E+08 2.E+08 - - - - - - - - - - - - - - - - - Glucuronic acid 5.E+07 7.E+07 3.E+07 4.E+07 3.E+07 3.E+07 3.E+07 4.E+07 2.E+07 2.E+07 3.E+07 5.E+07 5.E+07 5.E+07 3.E+07 4.E+07 4.E+07 4.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - R5P 6.E+07 6.E+07 3.E+07 4.E+07 3.E+07 3.E+07 4.E+07 6.E+07 3.E+07 4.E+07 3.E+07 4.E+07 5.E+07 5.E+07 3.E+07 7.E+07 6.E+07 6.E+07 5.E+07 3.E+07 - - - - - - - - - - - - - - - - - S7P 3.E+08 3.E+08 2.E+08 2.E+08 1.E+08 7.E+07 1.E+08 2.E+08 6.E+07 8.E+07 2.E+08 1.E+08 2.E+08 2.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 9.E+07 - - - - - - - - - - - - - - - - - FAD 1.E+07 1.E+07 7.E+06 8.E+06 6.E+06 5.E+06 5.E+06 8.E+06 4.E+06 4.E+06 7.E+06 7.E+06 9.E+06 9.E+06 6.E+06 8.E+06 8.E+06 7.E+06 5.E+06 5.E+06 - - - - - - - - - - - - - - - - - Fum 3.E+08 3.E+08 1.E+08 2.E+08 2.E+08 8.E+07 1.E+08 2.E+08 8.E+07 1.E+08 1.E+08 1.E+08 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 2.E+08 2.E+08 1.E+08 4.E+08 4.E+08 4.E+08 3.E+08 4.E+08 3.E+08 5.E+08 4.E+08 4.E+08 4.E+08 5.E+08 4.E+08 3.E+08 4.E+08 4.E+08 3.E+08 3.E+08 GDP 3.E+07 3.E+07 2.E+07 3.E+07 2.E+07 2.E+07 3.E+07 4.E+07 2.E+07 2.E+07 2.E+07 2.E+07 3.E+07 3.E+07 2.E+07 4.E+07 4.E+07 3.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - GMP 2.E+08 2.E+08 1.E+08 2.E+08 1.E+08 1.E+08 2.E+08 2.E+08 1.E+08 1.E+08 1.E+08 2.E+08 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 2.E+08 2.E+08 1.E+08 - - - - - - - - - - - - - - - - - GTP 9.E+06 1.E+07 7.E+06 9.E+06 6.E+06 5.E+06 7.E+06 1.E+07 4.E+06 7.E+06 5.E+06 7.E+06 8.E+06 1.E+07 5.E+06 1.E+07 1.E+07 1.E+07 7.E+06 7.E+06 - - - - - - - - - - - - - - - - - IMP 3.E+08 3.E+08 2.E+08 2.E+08 1.E+08 9.E+07 1.E+08 2.E+08 6.E+07 1.E+08 1.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 1.E+08 1.E+08 1.E+08 - - - - - - - - - - - - - - - - - IsoCit 7.E+07 1.E+08 4.E+07 8.E+07 3.E+07 4.E+07 3.E+07 4.E+07 2.E+07 3.E+07 4.E+07 5.E+07 7.E+07 5.E+07 4.E+07 5.E+07 6.E+07 4.E+07 4.E+07 3.E+07 - - - - - - - - - - - - - - - - - Mal 3.E+09 3.E+09 1.E+09 2.E+09 2.E+09 1.E+09 1.E+09 2.E+09 9.E+08 1.E+09 1.E+09 2.E+09 2.E+09 2.E+09 1.E+09 2.E+09 2.E+09 2.E+09 2.E+09 1.E+09 - - - - - - - - - - - - - - - - - NAD 1.E+07 1.E+07 9.E+06 1.E+07 1.E+07 5.E+06 5.E+06 9.E+06 4.E+06 5.E+06 7.E+06 1.E+07 1.E+07 1.E+07 9.E+06 7.E+06 8.E+06 7.E+06 5.E+06 6.E+06 - - - - - - - - - - - - - - - - - NADPH 2.E+05 2.E+05 2.E+05 3.E+05 2.E+05 1.E+05 2.E+05 2.E+05 1.E+05 3.E+05 2.E+05 3.E+05 2.E+05 3.E+05 4.E+05 2.E+05 2.E+05 2.E+05 2.E+05 6.E+05 - - - - - - - - - - - - - - - - - PEP 6.E+07 9.E+07 3.E+07 5.E+07 4.E+07 1.E+07 1.E+07 3.E+07 1.E+07 1.E+07 3.E+07 4.E+07 6.E+07 5.E+07 3.E+07 4.E+07 3.E+07 3.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - PRPP 1.E+06 1.E+06 6.E+05 7.E+05 9.E+05 6.E+05 9.E+05 1.E+06 6.E+05 6.E+05 5.E+05 6.E+05 7.E+05 1.E+06 3.E+05 1.E+06 1.E+06 2.E+06 1.E+06 4.E+05 - - - - - - - - - - - - - - - - - Pyr 6.E+07 9.E+07 3.E+07 3.E+07 4.E+07 1.E+07 2.E+07 3.E+07 2.E+07 2.E+07 3.E+07 4.E+07 5.E+07 5.E+07 3.E+07 4.E+07 4.E+07 3.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - Suc 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 2.E+08 1.E+08 2.E+08 3.E+08 2.E+08 6.E+07 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 3.E+08 3.E+08 2.E+08 2.E+08 - - - - - - - - - - - - - - - - - ThPP 4.E+06 5.E+06 2.E+06 4.E+06 3.E+06 2.E+06 2.E+06 3.E+06 2.E+06 2.E+06 2.E+06 3.E+06 3.E+06 4.E+06 2.E+06 3.E+06 4.E+06 3.E+06 2.E+06 2.E+06 - - - - - - - - - - - - - - - - - UDP 2.E+07 2.E+07 1.E+07 1.E+07 1.E+07 8.E+06 1.E+07 1.E+07 9.E+06 1.E+07 8.E+06 1.E+07 1.E+07 2.E+07 9.E+06 2.E+07 2.E+07 2.E+07 1.E+07 1.E+07 - - - - - - - - - - - - - - - - - UDP-Glc 5.E+07 6.E+07 3.E+07 4.E+07 2.E+07 2.E+07 3.E+07 2.E+07 1.E+07 3.E+07 3.E+07 1.E+07 3.E+07 3.E+07 2.E+07 5.E+07 6.E+07 3.E+07 3.E+07 3.E+07 - - - - - - - - - - - - - - - - - UMP 5.E+08 5.E+08 3.E+08 4.E+08 3.E+08 3.E+08 3.E+08 4.E+08 2.E+08 3.E+08 3.E+08 3.E+08 4.E+08 4.E+08 3.E+08 5.E+08 5.E+08 4.E+08 3.E+08 3.E+08 - - - - - - - - - - - - - - - - - UTP 3.E+06 4.E+06 2.E+06 3.E+06 2.E+06 1.E+06 2.E+06 3.E+06 2.E+06 3.E+06 1.E+06 3.E+06 2.E+06 3.E+06 1.E+06 4.E+06 4.E+06 3.E+06 3.E+06 2.E+06 - - - - - - - - - - - - - - - - - 2-Hydroxyisobutyric acid 2.E+08 7.E+07 2.E+08 2.E+08 4.E+07 4.E+07 3.E+08 1.E+08 4.E+07 1.E+08 2.E+07 5.E+07 5.E+07 7.E+07 1.E+08 6.E+07 2.E+08 8.E+07 6.E+07 7.E+07 - - - - - - - - - - - - - - - - - Oxalic acid 3.E+08 3.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 3.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 3.E+08 3.E+08 3.E+08 2.E+08 2.E+08 - - - - - - - - - - - - - - - - - 3-Hydroxypropionic acid 5.E+09 6.E+09 3.E+09 4.E+09 5.E+09 2.E+09 3.E+09 5.E+09 3.E+09 3.E+09 3.E+09 4.E+09 6.E+09 5.E+09 4.E+09 7.E+09 6.E+09 6.E+09 4.E+09 3.E+09 - - - - - - - - - - - - - - - - - 2-Hydroxyisovaleric acid 4.E+06 5.E+06 3.E+06 5.E+06 3.E+06 5.E+06 6.E+06 2.E+07 5.E+06 4.E+06 2.E+06 4.E+06 5.E+06 4.E+06 5.E+06 6.E+06 8.E+06 1.E+07 6.E+06 2.E+06 - - - - - - - - - - - - - - - - - Glutaric acid 2.E+07 2.E+07 1.E+07 2.E+07 2.E+07 3.E+07 3.E+07 5.E+07 4.E+07 2.E+07 1.E+07 6.E+07 4.E+07 4.E+07 1.E+07 7.E+07 6.E+07 9.E+07 4.E+07 1.E+07 - - - - - - - - - - - - - - - - - Hippuric acid 3.E+06 5.E+06 8.E+05 2.E+07 2.E+06 2.E+06 2.E+06 3.E+06 9.E+05 1.E+06 3.E+06 7.E+06 6.E+06 5.E+06 2.E+06 4.E+06 5.E+06 3.E+06 1.E+06 7.E+05 - - - - - - - - - - - - - - - - - Quinolinic acid 6.E+05 1.E+06 3.E+05 4.E+05 1.E+06 1.E+06 1.E+06 1.E+06 1.E+06 9.E+05 5.E+05 2.E+06 1.E+06 1.E+06 5.E+05 2.E+06 2.E+06 3.E+06 2.E+06 6.E+05 - - - - - - - - - - - - - - - - - 2-Ethylhexanoic acid 1.E+07 1.E+07 8.E+06 6.E+06 5.E+06 9.E+06 7.E+06 9.E+06 8.E+06 6.E+06 6.E+06 4.E+06 7.E+06 7.E+06 7.E+06 8.E+06 1.E+07 9.E+06 5.E+06 9.E+06 - - - - - - - - - - - - - - - - - Threonic acid 3.E+08 2.E+08 2.E+08 2.E+08 2.E+08 1.E+08 2.E+08 2.E+08 1.E+08 1.E+08 1.E+08 1.E+08 2.E+08 2.E+08 2.E+08 2.E+08 3.E+08 2.E+08 2.E+08 1.E+08 - - - - - - - - - - - - - - - - - F1P 3.E+07 4.E+07 2.E+07 2.E+07 2.E+07 1.E+07 1.E+07 1.E+07 9.E+06 2.E+07 2.E+07 2.E+07 3.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 1.E+07 2.E+07 - - - - - - - - - - - - - - - - - Ga1P 3.E+07 3.E+07 2.E+07 2.E+07 2.E+07 1.E+07 1.E+07 2.E+07 1.E+07 1.E+07 2.E+07 2.E+07 3.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 1.E+07 1.E+07 - - - - - - - - - - - - - - - - - Glucaric acid 3.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 2.E+08 3.E+08 2.E+08 2.E+08 2.E+08 - - - - - - - - - - - - - - - - - 2-Methyl-3-Hydroxybutyric acid 5.E+06 5.E+06 3.E+06 5.E+06 3.E+06 2.E+06 3.E+06 4.E+06 3.E+06 2.E+06 2.E+06 3.E+06 4.E+06 4.E+06 3.E+06 3.E+06 4.E+06 4.E+06 3.E+06 2.E+06 - - - - - - - - - - - - - - - - - 2-Propylglutaric acid 2.E+06 2.E+06 2.E+06 2.E+06 2.E+06 1.E+06 1.E+06 2.E+06 2.E+06 1.E+06 1.E+06 2.E+06 2.E+06 2.E+06 1.E+06 2.E+06 2.E+06 2.E+06 1.E+06 1.E+06 - - - - - - - - - - - - - - - - - 2-Hydroxy glutaric acid 2.E+07 2.E+07 1.E+07 2.E+07 1.E+07 3.E+07 3.E+07 6.E+07 3.E+07 2.E+07 1.E+07 2.E+07 2.E+07 2.E+07 1.E+07 7.E+07 5.E+07 6.E+07 4.E+07 2.E+07 - - - - - - - - - - - - - - - - - UDP-Galac 2.E+07 2.E+07 1.E+07 2.E+07 1.E+07 1.E+07 2.E+07 1.E+07 8.E+06 1.E+07 1.E+07 7.E+06 1.E+07 1.E+07 1.E+07 2.E+07 2.E+07 1.E+07 1.E+07 1.E+07 - - - - - - - - - - - - - - - - - M6P 1.E+08 1.E+08 8.E+07 9.E+07 7.E+07 2.E+07 4.E+07 7.E+07 2.E+07 5.E+07 7.E+07 8.E+07 9.E+07 9.E+07 6.E+07 7.E+07 8.E+07 5.E+07 5.E+07 4.E+07 - - - - - - - - - - - - - - - - - 3-Hydroxymethylglutaric acid 1.E+07 1.E+07 1.E+07 1.E+07 4.E+06 5.E+06 1.E+07 1.E+07 6.E+06 7.E+06 4.E+06 6.E+06 6.E+06 7.E+06 7.E+06 1.E+07 1.E+07 1.E+07 7.E+06 5.E+06 - - - - - - - - - - - - - - - - - Glucose 3.E+09 3.E+09 2.E+09 3.E+09 2.E+09 1.E+09 2.E+09 3.E+09 1.E+09 2.E+09 2.E+09 2.E+09 3.E+09 3.E+09 2.E+09 2.E+09 3.E+09 2.E+09 2.E+09 2.E+09 - - - - - - - - - - - - - - - - - Uracil 3.E+06 4.E+06 1.E+06 2.E+06 2.E+06 4.E+06 7.E+06 8.E+06 5.E+06 5.E+06 2.E+06 3.E+06 4.E+06 4.E+06 3.E+06 8.E+06 9.E+06 1.E+07 6.E+06 3.E+06 9.E+07 9.E+07 1.E+08 9.E+07 7.E+07 7.E+07 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 1.E+08 Uridine 4.E+07 4.E+07 3.E+07 3.E+07 3.E+07 3.E+07 4.E+07 4.E+07 3.E+07 3.E+07 2.E+07 4.E+07 4.E+07 3.E+07 3.E+07 3.E+07 4.E+07 5.E+07 3.E+07 2.E+07 - - - - - - - - - - - - - - - - - O-Acetyl-homoSer 7.E+06 6.E+06 4.E+06 5.E+06 2.E+06 2.E+06 4.E+06 5.E+06 2.E+06 3.E+06 2.E+06 3.E+06 3.E+06 3.E+06 2.E+06 5.E+06 6.E+06 5.E+06 4.E+06 2.E+06 - - - - - - - - - - - - - - - - - Acetyl-Gly 6.E+06 5.E+06 3.E+06 4.E+06 3.E+06 2.E+06 4.E+06 4.E+06 2.E+06 3.E+06 2.E+06 2.E+06 3.E+06 4.E+06 3.E+06 4.E+06 6.E+06 4.E+06 3.E+06 3.E+06 - - - - - - - - - - - - - - - - - PropionylGly 5.E+05 9.E+05 3.E+05 4.E+05 8.E+05 2.E+05 7.E+05 1.E+06 4.E+05 8.E+05 5.E+05 4.E+05 1.E+06 1.E+06 5.E+05 1.E+06 1.E+06 2.E+06 2.E+06 9.E+05 - - - - - - - - - - - - - - - - - IsovalerylGly 1.E+06 2.E+06 5.E+05 2.E+06 2.E+06 8.E+05 9.E+05 2.E+06 1.E+06 4.E+05 9.E+05 3.E+06 3.E+06 3.E+06 6.E+05 3.E+06 2.E+06 3.E+06 9.E+05 6.E+05 - - - - - - - - - - - - - - - - - PyroGlu 4.E+07 4.E+07 2.E+07 3.E+07 2.E+07 2.E+07 3.E+07 4.E+07 2.E+07 3.E+07 2.E+07 2.E+07 3.E+07 3.E+07 3.E+07 3.E+07 4.E+07 4.E+07 3.E+07 3.E+07 - - - - - - - - - - - - - - - - - N-Acetyl-Asp 3.E+06 7.E+06 2.E+06 3.E+06 2.E+06 5.E+06 6.E+06 1.E+07 7.E+06 1.E+07 1.E+06 2.E+06 2.E+06 2.E+06 2.E+06 2.E+07 2.E+07 1.E+07 9.E+06 7.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-Leu 1.E+06 2.E+06 8.E+05 2.E+06 2.E+06 1.E+06 1.E+06 1.E+06 2.E+06 1.E+06 1.E+06 3.E+06 2.E+06 2.E+06 1.E+06 3.E+06 3.E+06 3.E+06 1.E+06 1.E+06 - - - - - - - - - - - - - - - - - Allantoin 1.E+08 2.E+08 6.E+07 1.E+08 7.E+07 7.E+07 8.E+07 1.E+08 7.E+07 6.E+07 8.E+07 8.E+07 1.E+08 9.E+07 6.E+07 1.E+08 1.E+08 1.E+08 9.E+07 6.E+07 - - - - - - - - - - - - - - - - - Taurine 4.E+09 2.E+09 2.E+09 3.E+09 3.E+09 3.E+09 3.E+09 5.E+09 3.E+09 3.E+09 2.E+09 2.E+09 2.E+09 2.E+09 3.E+09 4.E+09 5.E+09 4.E+09 3.E+09 2.E+09 - - - - - - - - - - - - - - - - - N-Acetyl-Ala 4.E+06 5.E+06 2.E+06 2.E+06 2.E+06 1.E+07 1.E+07 2.E+07 1.E+07 1.E+07 2.E+06 2.E+06 3.E+06 3.E+06 2.E+06 2.E+07 2.E+07 2.E+07 2.E+07 8.E+06 - - - - - - - - - - - - - - - - - Allantoic acid 5.E+06 4.E+06 3.E+06 4.E+06 3.E+06 2.E+06 3.E+06 4.E+06 2.E+06 2.E+06 2.E+06 2.E+06 3.E+06 3.E+06 2.E+06 3.E+06 4.E+06 4.E+06 3.E+06 2.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-Gln 4.E+07 4.E+07 2.E+07 4.E+07 3.E+07 1.E+07 3.E+07 4.E+07 2.E+07 2.E+07 2.E+07 2.E+07 2.E+07 3.E+07 3.E+07 3.E+07 5.E+07 3.E+07 2.E+07 2.E+07 - - - - - - - - - - - - - - - - - Arabinose 6.E+07 7.E+07 5.E+07 6.E+07 5.E+07 3.E+07 4.E+07 6.E+07 3.E+07 4.E+07 5.E+07 5.E+07 6.E+07 6.E+07 5.E+07 5.E+07 6.E+07 6.E+07 4.E+07 5.E+07 - - - - - - - - - - - - - - - - - Arabitol 1.E+07 9.E+06 5.E+06 8.E+06 7.E+06 6.E+06 8.E+06 9.E+06 6.E+06 9.E+06 5.E+06 7.E+06 1.E+07 8.E+06 9.E+06 1.E+07 1.E+07 1.E+07 7.E+06 7.E+06 - - - - - - - - - - - - - - - - - Beta-Lactose 6.E+07 1.E+08 4.E+07 4.E+07 4.E+07 3.E+07 2.E+07 4.E+07 2.E+07 3.E+07 4.E+07 4.E+07 6.E+07 4.E+07 4.E+07 5.E+07 3.E+07 4.E+07 3.E+07 2.E+07 - - - - - - - - - - - - - - - - - N-Acetyl-Asn 5.E+06 6.E+06 3.E+06 5.E+06 5.E+06 3.E+06 5.E+06 8.E+06 5.E+06 4.E+06 3.E+06 7.E+06 6.E+06 6.E+06 4.E+06 9.E+06 1.E+07 9.E+06 5.E+06 5.E+06 - - - - - - - - - - - - - - - - - Pantothenate 9.E+06 1.E+07 4.E+06 6.E+06 5.E+06 3.E+06 5.E+06 7.E+06 4.E+06 3.E+06 4.E+06 5.E+06 7.E+06 6.E+06 5.E+06 6.E+06 7.E+06 6.E+06 5.E+06 3.E+06 - - - - - - - - - - - - - - - - - Sorbitol-6P 4.E+06 5.E+06 3.E+06 4.E+06 3.E+06 1.E+06 2.E+06 2.E+06 1.E+06 2.E+06 3.E+06 3.E+06 4.E+06 4.E+06 2.E+06 3.E+06 3.E+06 2.E+06 2.E+06 2.E+06 - - - - - - - - - - - - - - - - - UDP-glucuronate 2.E+07 2.E+07 1.E+07 2.E+07 8.E+06 2.E+07 1.E+07 4.E+07 1.E+07 7.E+06 2.E+07 3.E+07 2.E+07 2.E+07 6.E+06 2.E+07 2.E+07 3.E+07 1.E+07 8.E+06 - - - - - - - - - - - - - - - - - UDP-N-acetyl-glucosamine 1.E+08 1.E+08 8.E+07 1.E+08 8.E+07 8.E+07 9.E+07 1.E+08 8.E+07 8.E+07 7.E+07 8.E+07 1.E+08 1.E+08 8.E+07 1.E+08 1.E+08 1.E+08 9.E+07 8.E+07 - - - - - - - - - - - - - - - - - 2,3-BPG 1.E+08 1.E+08 7.E+07 7.E+07 7.E+07 5.E+07 8.E+07 1.E+08 6.E+07 6.E+07 5.E+07 1.E+08 8.E+07 1.E+08 7.E+07 2.E+08 2.E+08 1.E+08 1.E+08 4.E+07 - - - - - - - - - - - - - - - - - 2-Dehydrogluconate 3.E+07 4.E+07 2.E+07 2.E+07 2.E+07 7.E+06 9.E+06 1.E+07 6.E+06 6.E+06 2.E+07 3.E+07 3.E+07 3.E+07 2.E+07 2.E+07 2.E+07 1.E+07 1.E+07 7.E+06 - - - - - - - - - - - - - - - - - Pyridoxal-5P 1.E+07 2.E+07 9.E+06 1.E+07 1.E+07 5.E+06 7.E+06 1.E+07 5.E+06 7.E+06 9.E+06 9.E+06 1.E+07 1.E+07 7.E+06 1.E+07 1.E+07 1.E+07 8.E+06 7.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-glucosamine-1P 6.E+06 7.E+06 3.E+06 5.E+06 4.E+06 3.E+06 5.E+06 5.E+06 3.E+06 4.E+06 2.E+06 2.E+06 4.E+06 5.E+06 6.E+06 6.E+06 8.E+06 5.E+06 5.E+06 4.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-Glu 5.E+07 5.E+07 2.E+07 3.E+07 6.E+07 5.E+07 2.E+07 1.E+08 8.E+07 2.E+07 5.E+07 1.E+08 1.E+08 8.E+07 2.E+07 1.E+08 5.E+07 1.E+08 5.E+07 2.E+07 - - - - - - - - - - - - - - - - - Creatine phosphate 2.E+07 1.E+07 2.E+07 2.E+07 2.E+07 4.E+06 9.E+06 1.E+07 4.E+06 4.E+06 8.E+06 1.E+07 1.E+07 2.E+07 7.E+06 7.E+06 1.E+07 1.E+07 1.E+07 4.E+06 - - - - - - - - - - - - - - - - - N-Carbamoyl-Asp 7.E+05 6.E+05 1.E+05 2.E+05 1.E+06 1.E+06 6.E+05 2.E+06 2.E+06 5.E+05 3.E+05 2.E+06 1.E+06 1.E+06 2.E+05 3.E+06 1.E+06 4.E+06 2.E+06 4.E+05 - - - - - - - - - - - - - - - - - Maltotetraose 4.E+07 9.E+07 4.E+07 3.E+07 3.E+07 1.E+07 1.E+07 2.E+07 7.E+06 1.E+07 3.E+07 3.E+07 5.E+07 2.E+07 3.E+07 2.E+07 1.E+07 2.E+07 1.E+07 1.E+07 - - - - - - - - - - - - - - - - - Succinyl AMP 5.E+07 5.E+07 2.E+07 3.E+07 2.E+07 2.E+07 3.E+07 3.E+07 2.E+07 2.E+07 3.E+07 3.E+07 4.E+07 3.E+07 3.E+07 4.E+07 3.E+07 4.E+07 3.E+07 2.E+07 - - - - - - - - - - - - - - - - - AICARP 3.E+06 3.E+06 2.E+06 2.E+06 3.E+06 1.E+06 2.E+06 3.E+06 7.E+05 1.E+06 2.E+06 2.E+06 2.E+06 2.E+06 2.E+06 3.E+06 2.E+06 2.E+06 1.E+06 2.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-galactosamine 2.E+07 2.E+07 1.E+07 1.E+07 1.E+07 5.E+06 7.E+06 9.E+06 5.E+06 8.E+06 9.E+06 8.E+06 1.E+07 2.E+07 1.E+07 8.E+06 1.E+07 8.E+06 7.E+06 8.E+06 - - - - - - - - - - - - - - - - - Glucosamine 1P 2.E+07 2.E+07 1.E+07 1.E+07 1.E+07 1.E+07 2.E+07 1.E+07 1.E+07 1.E+07 1.E+07 1.E+07 1.E+07 2.E+07 1.E+07 2.E+07 3.E+07 2.E+07 2.E+07 1.E+07 - - - - - - - - - - - - - - - - - GDP-Man 7.E+06 9.E+06 5.E+06 7.E+06 5.E+06 4.E+06 4.E+06 6.E+06 3.E+06 5.E+06 5.E+06 6.E+06 7.E+06 6.E+06 5.E+06 8.E+06 8.E+06 5.E+06 4.E+06 5.E+06 - - - - - - - - - - - - - - - - - 2-Methylhippuric acid 5.E+06 6.E+06 2.E+06 8.E+06 4.E+06 7.E+05 5.E+05 2.E+06 2.E+06 1.E+06 1.E+06 1.E+06 2.E+06 2.E+06 1.E+06 1.E+06 2.E+06 3.E+06 1.E+06 1.E+06 - - - - - - - - - - - - - - - - - Homocysteic acid 7.E+05 5.E+05 3.E+05 5.E+05 4.E+05 8.E+05 5.E+05 1.E+06 3.E+05 5.E+05 3.E+05 9.E+05 5.E+05 1.E+06 4.E+05 9.E+05 1.E+06 8.E+05 7.E+05 8.E+05 - - - - - - - - - - - - - - - - - Cysteinesulfinic acid 1.E+06 2.E+06 8.E+05 1.E+06 2.E+06 3.E+06 3.E+06 1.E+07 6.E+06 2.E+06 1.E+06 3.E+06 2.E+06 3.E+06 1.E+06 9.E+06 7.E+06 1.E+07 5.E+06 1.E+06 - - - - - - - - - - - - - - - - - Cysteic acid 3.E+06 2.E+06 1.E+06 3.E+06 2.E+06 3.E+06 4.E+06 6.E+06 2.E+06 3.E+06 1.E+06 2.E+06 3.E+06 2.E+06 1.E+06 7.E+06 8.E+06 5.E+06 3.E+06 1.E+06 - - - - - - - - - - - - - - - - - N-Acetyl-glucosamine-6P 6.E+06 6.E+06 3.E+06 4.E+06 4.E+06 4.E+06 5.E+06 5.E+06 4.E+06 4.E+06 3.E+06 3.E+06 5.E+06 6.E+06 6.E+06 7.E+06 9.E+06 6.E+06 5.E+06 4.E+06 - - - - - - - - - - - - - - - - - MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 10-Camphorsulfonic acid (IS) PIPES (IS) 2KG 3-Hydroxybutyric acid 6PG ADP ADP-Glc ADP-Rib AMP ATP CDP cis-Aco Cit CoA CTP FBP F6P Gluconic acid G1P G6P Glucuronic acid R5P S7P FAD Fum GDP GMP GTP IMP IsoCit Mal NAD NADPH PEP PRPP Pyr Suc ThPP UDP UDP-Glc UMP UTP 2-Hydroxyisobutyric acid Oxalic acid 3-Hydroxypropionic acid 2-Hydroxyisovaleric acid Glutaric acid Hippuric acid Quinolinic acid 2-Ethylhexanoic acid Threonic acid F1P Ga1P Glucaric acid 2-Methyl-3-Hydroxybutyric acid 2-Propylglutaric acid 2-Hydroxy glutaric acid UDP-Galac M6P 3-Hydroxymethylglutaric acid Glucose Uracil Uridine O-Acetyl-homoSer Acetyl-Gly PropionylGly IsovalerylGly PyroGlu N-Acetyl-Asp N-Acetyl-Leu Allantoin Taurine N-Acetyl-Ala Allantoic acid N-Acetyl-Gln Arabinose Arabitol Beta-Lactose N-Acetyl-Asn Pantothenate Sorbitol-6P UDP-glucuronate UDP-N-acetyl-glucosamine 2,3-BPG 2-Dehydrogluconate Pyridoxal-5P N-Acetyl-glucosamine-1P N-Acetyl-Glu Creatine phosphate N-Carbamoyl-Asp Maltotetraose Succinyl AMP AICARP N-Acetyl-galactosamine Glucosamine 1P GDP-Man 2-Methylhippuric acid Homocysteic acid Cysteinesulfinic acid Cysteic acid N-Acetyl-glucosamine-6P METABOLITES_END #END