#METABOLOMICS WORKBENCH Nagireddy_Putluri_20170523_164849 DATATRACK_ID:924 STUDY_ID:ST000614 ANALYSIS_ID:AN000940 PROJECT_ID:PR000449 VERSION 1 CREATED_ON May 31, 2017, 11:00 am #PROJECT PR:PROJECT_TITLE Tobacco-specific carcinogens induce hypermethylation, DNA adducts and DNA damage PR:PROJECT_TITLE in Bladder Cancer PR:PROJECT_SUMMARY Smoking is a major risk factor for the development of Bladder cancer (BCa); PR:PROJECT_SUMMARY however, the metabolic alterations and functional consequences associated with PR:PROJECT_SUMMARY cigarette smoke carcinogens in BCa remain poorly defined. We assessed the PR:PROJECT_SUMMARY metabolic profile in BCa and identified the key alterations in metabolism PR:PROJECT_SUMMARY associated with smoking. PR:INSTITUTE Baylor College of Medicine PR:LAST_NAME Putluri PR:FIRST_NAME Nagireddy PR:ADDRESS One Baylor Plaza, Houston, TX, 77030, USA PR:EMAIL putluri@bcm.edu PR:PHONE 713-798-3139 #STUDY ST:STUDY_TITLE Tobacco-specific carcinogens in Bladder Cancer ST:STUDY_SUMMARY Smoking induced methylation plays a critical role in the accumulation of ST:STUDY_SUMMARY methylated metabolites, DNA adducts damage and altered metabolism in BCa. These ST:STUDY_SUMMARY deregulated metabolites can be detected non-invasively and can be used as causal ST:STUDY_SUMMARY biomarkers that can predict the risk of developing BCa in smokers ST:INSTITUTE Baylor College of Medicine ST:LAST_NAME Putluri ST:FIRST_NAME Nagireddy ST:ADDRESS One Baylor Plaza ST:EMAIL putluri@bcm.edu ST:PHONE 7137983144 #SUBJECT SU:SUBJECT_TYPE Bladder Cancer Tissues SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 19367 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - 21964 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - 62e27a7e Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - cfc7fle8 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - ee79a098 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H11273-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H1135-15 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H13302-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H16586-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H1694-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H19419-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H1947-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H20182-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H2059-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H20870-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H20909-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H21750-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H22582-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H23671-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H25638-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H2574-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H25817-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H25875-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H26184-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H27622-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H27975-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H28074-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H321-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H4868-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H7959-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H8739-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - W00015-15 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - W00760-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - W101-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - W446-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - W465-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H14745-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H15082-14 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H15695-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H15923-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H16542-13 Diagonsis:Cancer | Smoking Status:Non-Smoker SUBJECT_SAMPLE_FACTORS - H16912-13 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H17983-13 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H18484-14 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 4856 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 8230 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 16276 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 16368 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 16763 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 18132 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 18890 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 19071 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 19627 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 19801 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 19846 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 20500 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 20636 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 21813 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 22186 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 22201 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 22233 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 07d3d7e4 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 0a15bd3c Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 0d33871d Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 0e54addb Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 1b44fdcd Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 200945e 4 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 276330f9 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 31842d51 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 4b24c7f3 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - 6394FAA2 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - a98f2fbe Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - dac57f3d Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - ddae2cee Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H00545-15 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H19025-13 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H2153-14 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H21551-14 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H25045-13 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H6655-14(H5347-14) Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H8220-14(H10472-14) Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - W00853-14 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - W114-14 Diagonsis:Cancer | Smoking Status:Former Smoker SUBJECT_SAMPLE_FACTORS - H14335-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H16027-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 13742 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 14021 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 16867 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 19229 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 20957 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 21981 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 22018 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 04755f1cc Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 17F35E1F Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 1afbc5b2 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 2192252c Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 5A929F9E Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 5b47e65a Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 9AB7EADC Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 9B7DA93A Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H13329-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H13928 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H17407-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H17745-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H20232-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H20475-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H20941-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H21013-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H21617-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H21956-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H2693-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H335-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H4407-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H4545-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H6181-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H6828-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - H8541-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - W610-14 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - W768-13 Diagonsis:Cancer | Smoking Status:Current Smoker SUBJECT_SAMPLE_FACTORS - 18132-1N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 19071-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 19627-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 20500-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 20636-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 21813-N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 22186-1N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 22201-3 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 22233-1N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - GN-5(0060539-03) Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - GN-8(0060808-03) Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0059678-07 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0060684-07 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0061030-04 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 13742-N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 19229-1N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 20957-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 21981-N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 22018-1 N Diagonsis:Benign | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0060504-10 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0060530-03 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 0060960-04 Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 11(00601060-03) Diagonsis:Normal | Smoking Status:Smoker SUBJECT_SAMPLE_FACTORS - 19(0065349-03) Diagonsis:Normal | Smoking Status:Smoker #COLLECTION CO:COLLECTION_SUMMARY Witten-Herdecke University;The University of Texas Southwestern Medical Center; CO:COLLECTION_SUMMARY Baylor College of Medicin #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY All the tissues and urine samples used for this study were stored in -140oC. 50 SP:SAMPLEPREP_SUMMARY mg of tissue was used for the extraction. For cell lines, 3 x106 cell pellets SP:SAMPLEPREP_SUMMARY were thawed at 4 °C and subjected to three freeze-thaw cycles, freezing in SP:SAMPLEPREP_SUMMARY liquid nitrogen and thawing on ice, to rupture the cell membranes. The SP:SAMPLEPREP_SUMMARY extraction step start with 750 µL ice-cold methanol:water (4:1) containing 20 SP:SAMPLEPREP_SUMMARY µL spiked internal standards was added to each cell pellet or tissue sample. SP:SAMPLEPREP_SUMMARY Ice-cold chloroform and water was added in a 3:1 ratio for a final proportion of SP:SAMPLEPREP_SUMMARY 1:4:3:1 water:methanol:chloroform:water. The organic (methanol and chloroform) SP:SAMPLEPREP_SUMMARY and aqueous layers dried and re suspended with 50:50 methonal: water. The SP:SAMPLEPREP_SUMMARY extract was deproteinized using a 3-kDa molecular filter (Amicon Ultracel-3K SP:SAMPLEPREP_SUMMARY Membrane; Millipore Corporation, Billerica, MA) and the filtrate was dried under SP:SAMPLEPREP_SUMMARY vacuum (Genevac EZ-2plus; Gardiner, Stone Ridge, NY). Prior to mass SP:SAMPLEPREP_SUMMARY spectrometry, the dried extracts were resuspended in identical volumes of SP:SAMPLEPREP_SUMMARY injection solvent composed of 1:1 water:methanol and subjected to liquid SP:SAMPLEPREP_SUMMARY chromatography-mass spectrometry. 50 ul of urine was used for sample SP:SAMPLEPREP_SUMMARY preparation. Internal standard was spiked into raw sample. Then it was processed SP:SAMPLEPREP_SUMMARY through Amicon 3k filter. After that, 50 ul of urine sample was diluted with 450 SP:SAMPLEPREP_SUMMARY solvent ( methanol water =50:50 v/v) and subjected to LC/MS analysis. The SP:SAMPLEPREP_SUMMARY injection volume was 10 ul. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Unspecified CH:COLUMN_NAME Waters XBridge Amide (100 x 4.6mm, 3.5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6495 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak intensity MS_METABOLITE_DATA_START Samples 4856 8230 13742 14021 16276 16368 16763 16867 18132 18890 19071 19229 19367 19627 19801 19846 20500 20636 20957 21813 21964 21981 22018 22186 22201 22233 04755f1cc 07d3d7e4 0a15bd3c 0d33871d 0e54addb 17F35E1F 1afbc5b2 1b44fdcd 200945e 4 2192252c 276330f9 31842d51 4b24c7f3 5A929F9E 5b47e65a 62e27a7e 6394FAA2 9AB7EADC 9B7DA93A a98f2fbe cfc7fle8 dac57f3d ddae2cee ee79a098 H00545-15 H11273-14 H1135-15 H13302-13 H13329-13 H13928 H14335-13 H14745-13 H15082-14 H15695-13 H15923-13 H16027-13 H16542-13 H16586-14 H16912-13 H1694-14 H17407-14 H17745-14 H17983-13 H18484-14 H19025-13 H19419-13 H1947-14 H20182-13 H20232-14 H20475-13 H2059-14 H20870-13 H20909-13 H20941-13 H21013-14 H2153-14 H21551-14 H21617-13 H21750-13 H21956-14 H22582-13 H23671-13 H25045-13 H25638-14 H2574-14 H25817-13 H25875-14 H26184-14 H2693-14 H27622-14 H27975-13 H28074-13 H321-14 H335-14 H4407-14 H4545-14 H4868-14 H6181-14 H6655-14(H5347-14) H6828-14 H7959-14 H8220-14(H10472-14) H8541-14 H8739-14 W00015-15 W00760-14 W00853-14 W101-14 W114-14 W446-14 W465-14 W610-14 W768-13 Factors Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Former Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Non-Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Diagonsis:Cancer | Smoking Status:Current Smoker Aminobenzoate 1029829 2090594 902779 810117 856616 976448 1300387 896128 539525 1939487 1344623 591945 28444 1174353 1308082 1120124 2546634 1206816 636211 1078461 3906 875997 1123858 253885 506122 1450345 786548 651175 126988 3058960 3078323 2984728 635096 751290 337951 355971 957832 903497 600369 487699 1104052 320 1045545 1034749 662389 1058327 920 662686 700301 8201 1877 5592 273 34197 503853 1872626 19552 2801 339479 835399 2390904 6961 5129021 24505 20850 5876 955081 554309 24271 12172 932848 15719 2741 14554 887835 614 71 22719 8268 49986 105432 295941 985263 846322 63538 132001 14092 7756 1805196 11761 2636 5796 463 14964 94191 1927 26065 14457 1872 1221910 6003 37143 1604 954520 21776 11566 15610 13124 1158 762 7785 19134 520684 465 921224 1847 16092 475990 404391 3-hydroxy3-methyl glutaric acid 12783 26952 28676 35873 20124 11373 26699 30617 18761 25976 33191 16028 193 127039 31929 21744 7106 29566 3307 26751 192 23760 101196 7808 9277 34795 27064 6102 866 18896 9328 4996 2734 30624 10078 6572 13002 4539 16070 4117 6617 66 27372 32334 9756 30210 374 14001 9368 356 33315 145 139 137 8938 9898 542 7345 28834 27774 15662 141 14902 48 107 514 4079 13306 400 240 27695 93 79 673 6247 0 89 206 116 933 57596 6640 13716 18746 448 16419 662 1114 14853 195 402 1027 1209 57 12491 499 185 319 27 13486 653 6799 192 7876 56020 3379 168 5142 304 82 552 32 42232 54 26466 91 223 7237 425389 4-hydroxy benzoic acid 507064 786846 219630 1078877 169105 627882 390462 920665 510050 525949 767350 230473 7255 823290 394613 602576 700299 446319 290714 639264 941 761579 610840 625463 208987 384199 219855 271444 207890 581842 650774 510062 54591 203466 472636 201361 471050 257042 513105 304718 154512 3126 368643 390477 347937 685873 8602 427652 367092 3773 630122 6707 3758 9569 155554 618312 15009 690001 826871 645375 625803 2736 651525 7275 7933 3994 471101 713209 6895 11542 704361 6290 5059 9868 199405 3595 13504 14146 1675 41364 690914 340320 737434 657273 13861 208171 9916 10846 745036 4705 12541 7606 12659 6506 593314 11658 13479 7023 603 608185 34076 564766 5217 779795 303660 265292 4047 534573 30494 7255 9954 4666 748893 2226 514784 2896 3612 161987 395470 6-methyl 2-thiouracil 162435 200412 121432 264518 105804 163246 167953 235656 161507 210224 180432 128704 5538 256296 182479 228784 142427 201431 111634 248326 796 260940 185950 243853 91351 159786 89520 151347 162797 210847 138593 142071 31416 107458 209801 131268 186533 83632 189696 175821 78560 2127 165975 96344 121627 345027 3150 243790 142758 2054 247859 1663 2610 2356 81153 159235 1876 248658 165617 240371 173587 1626 229061 2061 2671 1410 223433 224936 3697 3495 192374 2386 2419 2451 105251 19796 5656 3378 961 24925 173591 96444 155753 138930 4044 99462 3073 4130 142617 1791 2707 2879 5072 2279 175317 3179 3496 2474 441 278977 44247 299603 1582 235852 148379 156283 1816 198449 26818 4585 3341 1710 150750 1626 235501 1484 1739 94481 161019 ADP_neg 29033 123393 46154 57341 65313 4139 131414 20841 6489 192721 231373 34096 5914 41819 1861 78635 961191 74703 200219 18980 48881 81666 72772 46 133903 44412 281907 192983 10132 107016 67075 11626 97391 87289 1223 67832 17700 90462 42083 1493 296493 1711 72691 269891 2880 899 10040 28357 286 190945 1413 44385 24761 545283 573155 1594820 283227 994 284859 34228 922772 65033 859135 553168 330124 23884 168534 15891 257595 536321 148950 97375 290669 196899 530209 32 5395 155610 1990 7711 4261 80841 118481 157863 943838 1159 36354 4756 575194 69321 34620 33866 335 102885 1392 6633 175175 270057 39772 74324 1662 2585 3257 72303 2252 5440 133152 408 3828 138 9054 296366 165037 4087 10971 8511 232258 33251 181649 Anthracene1 22912 26066 30481 36098 32407 32898 14803 36984 26828 15977 22511 13045 483 27984 19538 22237 18388 17982 28562 21763 165 27566 12969 31079 21268 18702 16665 32150 41338 30473 27078 25094 15359 38500 31340 29368 29647 25443 39347 38290 20267 204 17688 21950 21557 30382 350 41041 15280 518 21414 414 264 395 20904 24576 593 25047 34627 26645 25723 209 18175 262 299 224 20490 34705 215 433 16116 206 243 311 29706 0 460 321 166 4827 35305 8014 30229 23083 444 19719 591 368 25943 595 536 332 496 487 22357 522 714 338 80 21353 4109 25972 166 16693 15437 13100 516 12760 2649 322 306 420 35878 190 17354 282 413 35887 12381 anthranilate 111473 117701 122287 65147 67616 53668 53911 89256 99522 101651 65426 50550 473 122392 121670 128074 22624 77966 45969 53299 225 61720 155596 6107 38932 121035 16725 47647 21606 41799 21057 25266 6493 16039 9077 71728 27977 10930 6063 23726 12958 1063 26955 23765 30159 51791 1055 22727 44060 4025 39668 1091 2075 627 27164 18085 1135 21804 124257 88351 33109 1293 33758 2064 344 1382 42316 114548 1101 1041 30604 1096 1282 1942 32750 219 1243 1706 435 775 10842 30018 43642 107200 685 16270 858 545 49658 5079 282 340 1012 2000 45192 5069 302 1065 1145 28483 2419 10548 386 15642 2801 13818 788 6054 815 1024 6041 4020 56361 1331 40829 1094 768 32321 34148 D-sedoheptulose-1-7-phosphate 41838 300103 159299 317503 78529 23252 97596 618082 67778 73681 31403 102790 35227 243506 58347 109406 100801 147981 128159 114270 89873 74498 86783 135319 121118 183118 56964 129797 59487 132724 191654 74965 47681 91875 87166 44827 145471 223655 604569 122956 224540 311284 154312 97735 82643 100754 202460 317773 27156 139431 651141 222383 131319 286841 141940 468613 199153 209336 235270 215373 277104 111558 860584 412074 529482 151070 461280 108638 575463 553449 136769 174273 126995 245297 130123 1645 55438 235181 155830 51294 42222 330099 295612 303159 335271 110057 187758 70283 288679 147076 173678 33941 16121 356365 571515 60634 330448 200105 48058 309657 26116 436829 378061 883383 529731 203638 160416 381062 48803 269786 171471 70989 59008 70087 437317 128400 74640 132941 149098 fluorene neg2 46971 16769 2011 29946 2464 37141 46264 32945 26113 51904 22039 47660 50813 29868 38934 37788 33145 51981 2162 30122 24519 37001 43857 47169 1800 24565 4720 2913 6162 30338 31777 42195 2071 2263 33922 2396 38048 1912 27672 87616 1631 1146 55640 2180 18821 43842 581 36657 17835 1125 13118 1352 2149 1711 892 26962 1552 4035 21196 23923 32932 1663 37154 1430 1407 1509 45453 24139 1540 1507 37373 1578 2548 521 998 27 423 399 2212 712 10105 23376 24139 28604 365 192 2250 2476 17988 1049 1242 2370 333 1025 10411 526 22517 4787 24571 30010 1588 36565 1184 21193 14432 1583 2511 8911 159 564 464 1029 28569 2547 20143 2441 2138 1239 49809 Frctose-6-Phosphate 144627 1372704 940540 133757 80481 46717 642064 746242 50695 163435 264054 222915 60406 162302 80637 248320 678882 166968 172295 138482 92303 331069 398341 53241 105552 728757 114585 357888 51636 97908 99932 90598 59359 64288 15114 67684 40559 51238 122842 34591 125554 1716 157073 322859 29379 31983 553 55354 44229 70203 52 130818 5790 1083158 188320 717700 178340 3607 232258 118498 896898 96785 868620 822244 244660 60790 833642 435737 1226095 641146 206231 42194 11439 56101 174643 281 3549 120088 17916 27844 33742 231414 130756 128547 168947 15981 111713 54584 158771 137595 79949 19621 22310 63952 7273 51256 388765 342278 66029 98530 3021 248 13096 338058 3737 4183 127232 309 437 2685 26602 310468 133115 8612 22830 37219 1231725 41725 68030 Glucose-6-Phosphate 28234 155653 625516 34839 33045 16607 109169 382126 28931 21726 27071 34350 22454 41279 30650 46183 226061 25272 58513 6525 32824 100462 217087 19034 30832 467043 29481 98325 13644 48150 35902 23720 24341 27454 5241 15738 11275 11488 55106 11377 26876 472 34857 64610 15928 10362 2624 15708 22721 34288 245 49492 1513 263670 73551 330412 51248 0 98547 51622 431744 15048 700861 368277 97312 34848 575208 291641 640228 241152 61655 15464 2991 17922 31422 115 0 61880 6992 9133 17718 75606 45251 35821 99177 6234 43578 22400 44685 70774 31752 4015 15873 20685 912 23176 113294 153396 19422 40754 329 0 8776 209192 0 1857 73451 0 79 1864 10453 40824 50393 5131 5398 11904 114777 17623 28681 glutathione disulfide_neg 233666 1559521 95843 417344 456976 70805 1541397 720147 278523 1090388 839912 345903 226696 403093 833809 1352534 1522997 449674 642206 493307 132276 709533 550993 122086 452025 525842 1083090 714050 94406 444038 352180 636424 235759 566760 87354 1130985 111364 188778 263424 131336 981120 1059 740646 839590 143091 212421 3657 192888 158941 498585 55 100268 5910 727404 1401585 749680 557220 575 58352 286910 272891 219939 1790511 442482 167120 129907 410200 213713 634265 1439037 104858 31740 16158 459506 1364139 629 1679 117360 19245 7427 9179 92268 250679 77291 582124 19498 88892 44835 642618 891415 25506 17415 3712 454024 1689 121368 175140 304834 93621 248520 1661 439 2139 110075 1451 6124 107529 1466 259 3247 39891 999917 505326 2110 3529 32432 1177151 192948 314021 HBA 34098 46797 263626 60187 27620 15770 7759 71549 35137 35537 50751 58773 371211 239426 20770 115591 1364 235404 38230 120568 2228 5254 46009 19592 63824 25943 8264 62832 3146 6082 7519 12208 4544 4267 18967 3435 8755 7548 8098 80701 27554 61835 7626 9510 8158 138910 12042 10772 16144 11781 1663 4057 3955 1425 19459 15423 33210 831 134465 27335 3080 118055 7023 11199 12833 1614 12687 35928 73658 67479 16153 29834 11874 9206 9726 47 3725 45216 1292 118 7932 19051 10845 8138 6196 2740 21405 4589 7691 31931 5050 28200 33363 12431 10022 18490 11043 45326 1588 32057 2057 6639 3931 11918 2452 3506 2907 5419 1201 3535 6131 8878 34319 635 21708 1939 17388 3401 4220 hexose-phosphate 223754 2184719 1399379 224823 151254 74041 965120 1053662 70845 259234 368662 367904 138891 240441 139038 435511 1071660 299723 285508 230338 139953 541189 753226 90026 168728 1107144 218890 621595 80782 134728 212496 129942 80983 103597 29623 93738 73491 79539 162395 48404 199454 3328 228117 460256 47958 49543 7955 77049 65790 114704 654 215068 7120 1780242 273488 1086935 275082 3663 434307 174467 1359679 142378 1462270 1131210 380523 89478 1356223 668115 1996640 1185977 382295 69956 20588 80406 288795 346 701 180121 26161 42945 78704 343273 240950 236487 289446 29539 204633 78290 249978 226532 108380 33220 38283 124894 9520 80180 574584 555178 108313 170690 4222 786 25739 645993 1821 9105 247115 2043 953 5142 58269 472793 182608 26137 24758 55727 1633428 75750 97397 lactate 823040 1960311 610221 1720730 689275 471211 1081403 1121049 625393 1302949 1537816 678795 496433 1366959 944944 1382586 1739385 1157239 919539 842986 342576 1069110 1274398 125178 643192 1100127 138186 884862 23629 501168 408911 431558 76044 173579 93878 484602 179178 126573 163516 97476 227085 263267 369488 530331 299826 1076277 242557 115214 194337 269920 87144 134906 172130 1024756 510288 799765 756218 44573 820907 512346 1115063 286589 1472619 590596 549328 349346 440265 401762 881253 1172050 574190 475825 278062 496224 495127 3190 227165 631874 170719 35195 116561 202174 678392 765980 1131321 295998 350465 234148 562088 207264 239213 174899 179431 794978 124184 283771 442419 545227 155800 370694 35503 315428 98932 612764 121414 223400 337105 43507 40410 89701 431228 413120 781076 104763 482164 98124 525045 305634 748279 Malic acid 773360 633231 267131 647988 84301 448524 404136 702690 424872 478684 236273 225950 766869 2661775 420652 1654772 546978 605537 116367 500677 65540 2057984 618064 229444 86290 337307 154306 146487 6468 573715 424237 149592 63859 88563 147766 28192 200431 99287 234526 63709 103387 12380 498479 222566 62933 97578 49312 223846 563145 114827 0 201963 25863 492736 93443 438848 329675 6537 881858 517471 1303678 71399 888460 399092 493849 76686 253584 417369 4486654 402960 353207 92646 79991 1229952 200888 631 0 190841 36285 6271 27855 188322 273725 368949 323071 35123 257902 61063 660599 124640 248517 46757 46398 182112 21911 205210 183121 532150 34954 199996 4068 0 26711 140615 2589 20806 102179 4490 771 0 63577 189812 889216 13124 68050 19264 207389 80189 473026 Malonate (Propanedioate) 30135 54728 291854 53938 30702 7469 7452 69457 31618 43079 46976 55596 352927 227745 21485 116280 2442 217777 41139 107128 1807 5317 54065 13528 60440 24082 7096 61015 3409 4710 4407 12649 9387 2924 21388 4393 5008 6876 3120 77977 3406 56423 8440 7488 12650 141505 13198 8434 1793 12139 551 1298 8939 1489 22917 12109 28559 327 125385 23596 2255 112130 6182 11807 13266 4603 14473 37187 78495 67960 16842 28033 11863 7089 10008 794 5722 43371 3262 193 3123 25909 10892 3140 3725 2487 18605 4416 10703 32227 2807 26295 26637 12678 8649 17538 10882 51138 1839 9989 2603 10068 1940 10380 2257 1912 2566 1355 1028 6037 1083 7786 34783 1147 22727 1812 17998 2318 3255 MALTOTETRAOSE 1446 29307 852 18636 1840 6279 4698 24247 2626 4137 9349 6178 20502 3043 463 64189 4613 3471 9013 10239 61 5383 1747 7030 1782 1297 9355 33908 2465 8030 2399 12756 1186 7654 3233 3247 6409 1464 6563 5311 6090 0 3935 14679 23430 31109 734 19799 3241 2010 540 4713 2587 15588 42826 10511 14300 233 11360 43436 6644 4791 27256 4311 6831 7044 25476 41297 9379 17591 35284 10160 204 2415 37352 187 246 7981 894 1188 2522 7902 7171 10745 5489 333 7207 1839 18791 11924 4376 2009 5391 21333 889 9566 9032 1241 3698 15061 0 1155 989 2860 207 3855 5561 739 1 10352 5386 15826 3230 13840 3338 7628 11294 4985 6435 Methyl malonic acid 333903 407169 16875 326930 83474 34886 125844 158298 144671 130504 235452 97475 1833 65932 306992 475627 143638 139639 90422 123812 656 348890 639804 99539 74728 366396 88322 121432 7517 183239 148657 46594 9999 19835 51896 49947 79227 16893 85382 45355 18342 1149 87512 30891 26493 229235 2137 61412 47157 800 17573 448 933 5007 87650 52398 7600 14997 40223 166662 538105 1176 177167 1354 1856 2276 46328 60467 5764 1702 295528 3502 1738 15008 127332 972 1022 4323 617 3454 28891 9910 292460 275208 3753 53082 1908 742 195755 825 2023 612 894 1821 46589 511 2635 3358 260 117652 14643 40912 820 118758 28727 29930 243 18317 2432 371 1900 1340 225908 385 248553 249 2163 65831 169216 Methyl succinic acid 66834 108503 184727 75103 62697 50743 83480 54623 40763 68649 51885 53681 545 93335 70692 158695 90283 64740 49270 36989 482 54164 74249 9039 23088 88521 36542 44778 5147 68669 63693 103133 28209 38399 12618 35887 24494 19319 22585 12802 25473 39 31707 55077 47129 41969 86 14472 24205 329 41 488 4435 2220 21222 44381 944 576 32466 25710 70845 4254 138301 967 525 414 25987 20574 713 44431 72018 599 383 771 38674 31 4118 868 302 977 3752 10413 70072 48206 1825 21061 373 213 57770 44373 184 268 4446 44868 4986 44247 741 1000 164 40328 580 3976 4437 33670 0 4352 619 1038 16 4430 4342 1024 38685 4439 31721 103 912 28658 71838 N-Aetyl Aspartic acid 61392 138915 603780 98285 146348 23779 422357 119878 48577 421292 70897 79423 129689 395694 76197 3277452 59960 60573 149837 634608 83558 700470 217447 63974 257195 237894 774622 111254 56518 280598 78662 25480 27656 398342 95043 74901 209777 42072 365616 101002 50735 70155 152383 1655922 76943 72793 70970 199882 135779 430350 17815 12791 78723 74871 500209 67777 79008 125961 123286 160340 158178 60922 63335 49821 53067 143434 59059 111219 127974 143275 1900899 20607 74473 531123 64753 838 34118 89168 742165 4129 46866 28681 110091 73819 123094 169618 188847 52406 91912 316737 249792 275887 29581 49183 79603 431061 154274 155375 43736 232456 14901 17929 38324 41961 83708 208857 268146 53146 4494 38554 218928 145202 212510 25713 47616 101269 433457 153631 3701277 Octanoic acid 32886 40702 29276 66678 8440 2406 37773 39237 25686 37048 133658 15600 5358 104098 35549 28447 47448 22639 58394 29236 21245 82273 98341 24982 74955 40754 17157 67707 7693 36052 41116 3077 8175 5507 7889 15998 5367 94911 79543 4385 53474 44349 33764 55619 13796 26939 124733 67857 6669 32513 7545 37689 59125 29797 20160 204178 47009 2179 76526 13649 42129 22452 141892 206172 92437 45477 127570 1756 61813 123087 113469 192093 63550 37295 117163 547 48721 48624 106078 22012 3754 77034 41920 85203 162770 20370 17356 16338 30073 66441 74341 76905 499 117029 70337 6098 67265 117629 14607 13589 14219 1597 58057 381098 4764 59707 31093 13294 14292 17702 43494 39105 23438 18720 15851 40394 27445 40293 38857 p-aminobenzoate 111473 117701 122287 65147 67616 53668 53911 89256 99522 101651 65426 50550 27436 122392 121670 128074 22624 77966 45969 53299 13097 61720 155596 6107 38932 121035 16725 47647 21606 41799 21057 25266 6493 16039 9077 71728 27977 10930 6063 23726 12958 9464 26955 23765 30159 51791 9005 22727 44060 24705 39668 5290 16002 36394 27164 18085 65878 21804 124257 88351 33109 16999 33758 15346 19969 22195 42316 114548 63861 60423 30604 5591 16375 54655 32750 219 14102 40959 25263 775 10842 30018 43642 107200 39761 16270 49807 31659 49658 33626 16398 19762 6507 11613 45192 33005 17541 61816 8462 28483 2419 10548 22409 15642 2801 13818 45734 6054 815 5667 37218 24366 56361 19244 40829 11265 44563 32321 34148 shikimate 418656 2330757 62699 878691 493380 1417716 104468 470083 502305 42096 1679013 106049 185715 128736 134920 1514193 469239 21012 250024 655913 101041 712368 1070155 1252984 51074 653016 1105870 263437 1485626 352337 1275321 55546 30293 398896 5788566 497312 1248684 213494 39608 305830 94155 154414 89625 351346 229349 64094 267611 533474 304948 1810486 46880 111887 175241 46721 908462 809419 828585 6598618 83681 1511940 258332 1024650 2656783 56017 42987 102442 380388 216383 226504 623534 1984817 1333396 46845 605088 94860 175989 1204594 105704 37645 1367349 366046 110067 226771 93296 14149 317611 1736945 447576 148497 4304095 225683 6884739 597949 157760 366862 319460 278764 70953 571186 14638 491919 120254 267055 2303434 71293 106993 110732 3759 1468792 96791 932320 167610 106846 167304 246083 582310 796707 216763 sn-glycerol-3-phosphate 22188 16295 18663 10087 29770 112759 13356 17143 18815 22000 6073 12301 17373 26959 14459 21714 17874 4995 54380 18223 9798 266757 18670 33635 58446 9396 36690 20221 18182 64364 45363 7924 11792 13120 12818 22622 56507 10662 58575 76084 14535 3202 15677 10855 4375 193997 2538 102302 31768 87606 0 17550 13457 29857 351700 150826 273063 0 115015 81936 31615 25898 39157 115418 687757 14486 103836 43128 312894 91643 28793 111111 32327 102190 193760 185 703 18222 27934 14760 1208 65285 33852 6190 50512 20220 15498 4781 82356 63195 10850 3118 10460 52736 368 2454 104272 73607 14854 78424 2410 374 3825 9955 0 13642 11214 76 4412 0 15706 10809 76340 4181 4815 46748 331077 27618 45565 succinate 295715 402623 18594 366090 101785 34405 114518 178300 134845 148670 227778 112761 117746 67188 321239 505008 138163 155166 87114 135704 32496 329578 602122 81246 82995 396741 83369 123634 7885 164311 161999 53430 10634 20410 61156 55652 74750 13088 83080 49276 20649 70636 82823 31729 24173 204878 117098 59798 43358 57187 20239 24035 59785 297467 86280 55211 418193 13892 46889 163115 525365 73862 204934 75226 124745 130627 57521 58728 266513 95265 303406 196829 98146 681217 151704 1458 53093 241917 36314 4002 24120 9460 288203 286504 188969 56985 113026 43566 192779 45694 119819 34462 64609 114952 51670 32084 143669 209181 14897 124633 13509 42334 35863 117993 24171 39254 13825 22287 5170 20001 107157 76540 248907 24819 255004 15113 120677 64819 173062 trehalose-6-Phosphate 1224 8252 1998 20539 6491 8003 23422 36623 1815 20962 10533 8636 5709 12874 8541 52641 21122 4604 16057 20717 4755 1079 4088 6085 10922 20299 49304 12564 7261 4033 130279 28151 5310 21151 9165 2401 19291 27357 16863 6457 9023 348 67095 57139 4872 1670 381 11898 8624 62949 215 13688 524 54217 103216 79447 68646 39 11963 46163 68611 12073 24891 66446 58249 11844 10974 13496 57940 89787 31681 23109 5231 97736 58019 2 41 9037 4913 2632 10287 23276 81020 22012 66248 4800 13609 5566 80770 42621 13793 8875 401 51712 593 2384 61528 75923 9442 14471 77 326 2045 40658 223 2106 25540 45 0 64 6607 86739 60249 2298 9339 5409 69903 24064 30004 UDP-D-glucose 61580 508727 1471 521246 65632 50629 309564 158646 4698 298893 403019 94805 88923 160257 123668 302373 766521 150353 451959 166998 55934 109952 147516 18380 58777 171327 378652 272611 73525 1098982 512250 305340 215919 205842 101706 47364 103217 402842 554918 105688 312448 2277 547302 504806 113058 59002 71774 132752 31853 914413 46 130559 51243 696350 492458 884619 831607 8133 566430 382984 690895 131550 1545594 472598 371198 180831 370717 308947 539343 492678 234385 201266 136825 574774 803998 3 1891 483141 76417 22353 1684 215057 431498 360998 1742719 119990 194779 92656 1125180 385348 143477 61977 6768 894836 28767 51164 795030 742616 67757 251595 7653 4990 83639 324382 3205 32329 406130 6326 2509 5358 79262 609596 668587 34638 134948 67720 1200409 264920 375971 UDP-D-glucuronate 13219 55845 3537 7978 10776 4145 20115 15710 339 84528 168355 11095 12239 2398 16489 66048 124717 31411 18799 25715 17725 15078 12517 496 47179 106108 50223 75561 3504 345278 68743 30420 99008 19901 6050 61809 14645 78766 55339 8441 83391 1957 55487 43706 5726 1373 11698 14470 2590 48676 43 24285 2075 155044 59010 99459 79254 723 95922 25567 220767 19253 201326 99652 30530 9636 52257 15077 30880 115181 6855 13778 1820 47412 41603 63 2303 19338 3253 5747 1664 20806 3939 17726 241995 6865 1433 979 97556 56026 55582 8143 467 74217 1019 6030 162238 105991 7326 17003 66 378 7121 115762 1082 1795 48573 1408 301 1308 4234 229732 79641 1235 26740 4385 89081 33235 17695 UDP-N-acetyl-glucosamine 62462 496306 12881 194550 135763 45546 340656 118792 8056 461204 329247 150631 45611 366075 95968 482446 751139 161370 302039 118709 42763 113417 267968 15530 114291 168007 351199 173379 25458 441085 206588 76379 53616 123197 40365 256909 58769 74771 261548 30722 117323 14048 131287 389880 35435 67033 72214 59342 13785 418716 419 210218 54309 848400 355261 591138 696100 21196 233708 234863 330392 94722 453208 229284 179409 107602 117401 117566 316913 430274 255730 153278 257330 234747 557312 0 35295 175698 34942 35532 12107 60725 218074 242265 2539310 352883 123153 51279 313284 141489 342786 39593 546 336289 16209 18579 797368 202872 23046 84660 5785 3798 57090 183064 4011 66753 147025 8818 4960 6033 53142 684223 293723 30803 92448 17911 744168 105415 193752 Uric acid 523025 1022135 533433 742005 1083758 515291 532137 401122 492572 667646 908790 399449 1749987 1089493 888763 969476 1111209 835639 691710 793447 354899 704907 578088 214584 483092 1193776 640614 788522 521167 766363 412332 314493 363161 533081 762350 1099414 615160 320630 523898 1333673 314151 327180 367284 440778 402366 2107308 125564 500743 186273 609298 391653 218408 164300 481222 485100 485541 654102 155924 488814 538023 447907 680102 518849 276426 280556 238230 605106 201169 511272 655555 459279 319548 241104 453456 308956 810 192980 369216 236679 119204 1003870 161456 466549 347168 269443 138065 516277 1861669 395844 428435 498954 281699 229472 390156 138586 902255 465048 505154 116468 630355 72525 418778 223422 267241 323758 165494 266462 95186 23298 173374 258969 535908 625592 243905 314872 355449 1072774 966003 417924 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Kegg ID Anthracene1 C14315 3-hydroxy3-methyl glutaric acid C03761 Methyl malonic acid C02170 Aminobenzoate C00568 Malonate (Propanedioate) C00383 anthranilate C00108 lactate C00186 Methyl succinic acid C08645 fluorene neg2 C07715 UDP-D-glucose C00029 Malic acid C00149 UDP-D-glucuronate C00167 Uric acid C00366 Octanoic acid C06423 sn-glycerol-3-phosphate C00093 UDP-N-acetyl-glucosamine C00043 6-methyl 2-thiouracil C19265 4-hydroxy benzoic acid C00156 succinate C00042 N-Aetyl Aspartic acid C01042 shikimate C00493 hexose-phosphate C00085 Frctose-6-Phosphate C00085 trehalose-6-Phosphate C00689 D-sedoheptulose-1-7-phosphate C05382 HBA C01089 glutathione disulfide_neg C00127 Glucose-6-Phosphate C00092 ADP_neg C00008 MALTOTETRAOSE C02052 p-aminobenzoate C00568 METABOLITES_END #END