#METABOLOMICS WORKBENCH Robin_guo_20250318_112054 DATATRACK_ID:5739 STUDY_ID:ST003804 ANALYSIS_ID:AN006253 PROJECT_ID:PR002378 VERSION 1 CREATED_ON March 18, 2025, 1:08 pm #PROJECT PR:PROJECT_TITLE Metabolomics Analysis of Zebrafish Liver Under Long-Term BPF Exposure PR:PROJECT_SUMMARY In this project, we exposed both female and male adult zebrafish to blank, 1, 10 PR:PROJECT_SUMMARY and 100 μg/L bisphenol F (BPF) for 7 weeks to study the influence of chronic PR:PROJECT_SUMMARY BPF exposure on adult zebrafish liver. After experiments, fish were euthanized PR:PROJECT_SUMMARY and metabolites were extracted from zebrafish liver for untargeted metabolomics PR:PROJECT_SUMMARY analysis. This project aims to provide an integrative picture of sex-dependent PR:PROJECT_SUMMARY metabolic alterations induced by chronic BPF exposure on adult zebrafish. PR:INSTITUTE Washington University in St. Louis PR:DEPARTMENT Chemistry PR:LABORATORY Patti Lab PR:LAST_NAME Guo PR:FIRST_NAME Qiuyuan PR:ADDRESS 1 Brookings Dr, St. Louis, Missouri, 63130, USA PR:EMAIL qiuyuan.g@wustl.edu PR:PHONE 314-229-3635 #STUDY ST:STUDY_TITLE Metabolomics Analysis of Zebrafish Liver Under Long-Term BPF Exposure ST:STUDY_SUMMARY In this project, we exposed both female and male adult zebrafish to blank, 1, 10 ST:STUDY_SUMMARY and 100 μg/L bisphenol F (BPF) for 7 weeks to study the influence of chronic ST:STUDY_SUMMARY BPF exposure on adult zebrafish liver. After experiments, fish were euthanized ST:STUDY_SUMMARY and metabolites were extracted from zebrafish liver for untargeted metabolomics ST:STUDY_SUMMARY analysis. This project aims to provide an integrative picture of sex-dependent ST:STUDY_SUMMARY metabolic alterations induced by chronic BPF exposure on adult zebrafish. ST:INSTITUTE Washington University in St. Louis ST:LAST_NAME Guo ST:FIRST_NAME Qiuyuan ST:ADDRESS 1 Brookings Dr, St. Louis, MO 63130 ST:EMAIL qiuyuan.g@wustl.edu ST:PHONE 314-229-3635 #SUBJECT SU:SUBJECT_TYPE Fish SU:SUBJECT_SPECIES Danio rerio SU:TAXONOMY_ID 7955 SU:GENOTYPE_STRAIN SjA SU:AGE_OR_AGE_RANGE 10 month old SU:GENDER Male and female #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 Zebrafish blankM01 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M01.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM02 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M02.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM03 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M03.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM04 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M04.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM05 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M05.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM06 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M06.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM07 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M07.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankM08 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl M08.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF01 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F01.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF02 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F02.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF03 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F03.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF04 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F04.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF05 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F05.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF06 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F06.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF07 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F07.mzML SUBJECT_SAMPLE_FACTORS Zebrafish blankF08 Sample source:Liver | Treatment:Blank Genotype=SjA; RAW_FILE_NAME=ctrl F08.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM01 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M01.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM02 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M02.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM03 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M03.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM04 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M04.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM05 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M05.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM06 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M06.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugM07 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug M07.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF01 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F01.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF02 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F02.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF03 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F03.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF04 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F04.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF05 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F05.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF06 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F06.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF07 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F07.d SUBJECT_SAMPLE_FACTORS Zebrafish 1ugF08 Sample source:Liver | Treatment:1 ug/L BPF Genotype=SjA; RAW_FILE_NAME=1ug F08.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM01 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M01.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM02 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M02.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM03 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M03.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM04 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M04.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM05 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M05.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM06 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M06.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugM07 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug M07.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF01 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F01.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF02 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F02.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF03 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F03.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF04 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F04.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF05 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F05.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF06 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F06.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF07 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F07.d SUBJECT_SAMPLE_FACTORS Zebrafish 10ugF08 Sample source:Liver | Treatment:10 ug/L BPF Genotype=SjA; RAW_FILE_NAME=10ug F08.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM01 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M01.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM02 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M02.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM03 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M03.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM04 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M04.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM05 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M05.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM06 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M06.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM07 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M07.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugM08 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug M08.mzML SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF01 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F01.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF02 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F02.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF03 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F03.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF04 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F04.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF05 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F05.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF06 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F06.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF07 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F07.d SUBJECT_SAMPLE_FACTORS Zebrafish 100ugF08 Sample source:Liver | Treatment:100 ug/L BPF Genotype=SjA; RAW_FILE_NAME=100ug F08.d #COLLECTION CO:COLLECTION_SUMMARY After 7 weeks of exposure, fish were euthanized using gradual cooling. Liver CO:COLLECTION_SUMMARY from zebrafish were harvested in pre-weighed 1.5 mL Eppendorf tube, snap frozen CO:COLLECTION_SUMMARY in liquid nitrogen and stored in -80 ℃ until metabolite extraction. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Stock solutions of bisphenol F (BPF, 10 mg/L, 100 mg/L and 1000 mg/L) were TR:TREATMENT_SUMMARY prepared in DMSO and stored in the dark at 4˚C. Experiments were performed TR:TREATMENT_SUMMARY using adult (10-month old) zebrafish. Eight female and eight male fish were TR:TREATMENT_SUMMARY exposed to 1 μg/L, 10 μg/L and 100 μg/L BPF and a blank control (DMSO 0.01% TR:TREATMENT_SUMMARY v/v) in 5 L tanks for 7 weeks, respectively. Importantly, the lowest TR:TREATMENT_SUMMARY concentration used (1 ug/L) was corresponding to the detected BPF levels in TR:TREATMENT_SUMMARY surface water samples. During the experiment, all tanks were maintained under TR:TREATMENT_SUMMARY the same pre-experimental conditions as described above, in which fish were TR:TREATMENT_SUMMARY allowed to swim freely. Fish were fed with Gemma micro 300 zebrafish food TR:TREATMENT_SUMMARY (Skretting) daily at noon (4 g/per fish) and the water in all tanks was changed TR:TREATMENT_SUMMARY every other day. After 7 weeks of exposure, fish were euthanized using gradual TR:TREATMENT_SUMMARY cooling. Liver from zebrafish were harvested in pre-weighed 1.5 mL Eppendorf TR:TREATMENT_SUMMARY tube, snap frozen in liquid nitrogen and stored in -80 ℃ until metabolite TR:TREATMENT_SUMMARY extraction. Metabolic extraction from zebrafish liver for LC/MS analysis #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen zebrafish liver was ground in the pre-weighed 1.5 ml Eppendorf tube with SP:SAMPLEPREP_SUMMARY a disposable pestle prechilled in liquid nitrogen. The tube containing zebrafish SP:SAMPLEPREP_SUMMARY liver was weighed again after grinding to calculate the net liver weight. Cold SP:SAMPLEPREP_SUMMARY extraction buffer (2:2:1 ACN:MeOH:water with 0.1 M formic acid, 4 ℃) was added SP:SAMPLEPREP_SUMMARY to the ground liver. For every 1 mg of liver wet weight, 40 μL of extraction SP:SAMPLEPREP_SUMMARY solvent were added. The extraction mixture was then vortexed for 30 s and SP:SAMPLEPREP_SUMMARY incubated on ice for 4 min. 2 M ammonium bicarbonate was added to the extraction SP:SAMPLEPREP_SUMMARY buffer to adjust the pH to 8.5. The mixture was subjected to three cycles of SP:SAMPLEPREP_SUMMARY freezing in liquid nitrogen (1 min), thawing in 25 ℃ water (10 s), sonication SP:SAMPLEPREP_SUMMARY (5 min), and vortexing (30 s), followed by incubation at -20 ℃ for 1 h. After SP:SAMPLEPREP_SUMMARY protein precipitation, liver extracts were centrifuged at 14, 000 g at 4 ℃ for SP:SAMPLEPREP_SUMMARY 15 min. The supernatant was transferred to LC/MS vial for same-day analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME HILICON iHILIC-(P) Classic 100*2.1 mm, 5 um, 200A CH:SOLVENT_A 95% Water/5% Acetonitrile, 20 mM Ammonium bicarbonate, 0.1% Ammonium hydroxide, CH:SOLVENT_A 5 uM Medronic acid CH:SOLVENT_B 95% Aceronitrile/5% Water CH:FLOW_GRADIENT 0.25 ml/min: 0-1 min: 90%B, 1-12 min: 35%B, 12-12.5 min: 25%B, 12.5-14.5 min: CH:FLOW_GRADIENT 25%B, 14.5-15 min: 90%B, 15-15.5 min: 90%B, 0.40 ml/min: 15.5-16.5 min: 90%B, CH:FLOW_GRADIENT 16.5-20 min:90%B, 0.25 ml/min: 20-20.5 min: 90%B, 20.5-24 min: 90%B, CH:FLOW_RATE 0.25 ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Samples were analyzed in negative mode under the following conditions: MS:MS_COMMENTS 67-1000m/z scan, 1 spectra/second acquisition rate, 200°C gas temp, 10 l/min MS:MS_COMMENTS drying gas, 44psi nebulizer, 300 °C sheath gas temp, 11 l/min sheath gas flow, MS:MS_COMMENTS 3000V capillary voltage, 2000V nozzle voltage, 100V fragmentor, 65V skimmer, MS:MS_COMMENTS 750V Oct 1 RF Vpp. Data was processed using skyline for identification and MS:MS_COMMENTS extraction of peak areas. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 100ugF01 100ugF02 100ugF03 100ugF04 100ugF05 100ugF06 100ugF07 100ugF08 100ugM01 100ugM02 100ugM03 100ugM04 100ugM05 100ugM06 100ugM07 100ugM08 10ugF01 10ugF02 10ugF03 10ugF04 10ugF05 10ugF06 10ugF07 10ugF08 10ugM01 10ugM02 10ugM03 10ugM04 10ugM05 10ugM06 10ugM07 1ugF01 1ugF02 1ugF03 1ugF04 1ugF05 1ugF06 1ugF07 1ugF08 1ugM01 1ugM02 1ugM03 1ugM04 1ugM05 1ugM06 1ugM07 blankF01 blankF02 blankF03 blankF04 blankF05 blankF06 blankF07 blankF08 blankM01 blankM02 blankM03 blankM04 blankM05 blankM06 blankM07 blankM08 Factors Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:100 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:10 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:1 ug/L BPF Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Sample source:Liver | Treatment:Blank Alpha-D-Glucose 370365 688763 447341 498876 428607 387772 343954 498295 578725 683201 448829 598945 273318 240496 395691 281141 480269 444394 593462 417941 542991 657368 555526 558797 835123 216226 31129 413793 283399 360023 315278 400179 596334 462768 498502 428016 614509 526440 326396 684963 59375 234344 645132 399166 609941 579222 106954 59861 76457 286184 285493 308778 290042 349746 532059 539230 312949 130392 338703 482325 348908 140635 Glucose-6-phosphate 40594 58788 44434 46948 82193 51432 53623 57224 48409 42584 32526 38721 17461 11334 33455 19573 59241 51517 120574 85276 93943 103608 76395 81583 65661 12653 2049 26168 19650 26085 16898 65642 60566 36847 65231 67736 32353 55731 69032 48919 5435 26478 52102 44574 31489 35652 99143 52348 60199 71852 75689 88606 93605 56970 44096 37442 23869 9919 16671 41045 37997 8350 Fructose-6-phosphate 588 490 184 182 562 576 524 585 402 326 565 327 551 2903 383 622 593 969 227 392 550 606 314 1176 407 293 356 51 205 197 241 305 477 334 529 262 822 435 456 431 353 533 486 223 349 493 497 897 179 221 725 614 654 1581 44096 38119 377 141 309 676 532 182 Fructose-1,6-biphosphate 567 448 80 251 211 378 185 230 242 182 153 525 86 280 310 303 277 317 806 463 487 65 199 242 328 183 225 175 95 265 88 60 288 579 168 564 339 160 325 279 156 217 91 245 305 372 168 208 389 104 74 151 363 83 177 308 199 104 759 81 132 153 Dihydroxyacetone Phosphate 16 177 212 62 207 149 98 149 544 213 114 489 136 256 223 78 105 139 200 129 102 53 144 209 222 199 157 166 119 172 324 70 99 60 210 35 118 102 202 177 39 170 183 123 62 169 205 248 152 134 161 84 106 145 112 201 178 190 540 84 62 323 2/3-Phosphoglycerate 20313 28940 14239 19859 12280 16006 17443 14554 28905 42824 32209 24107 20591 4957 38212 28707 22452 11171 18732 21810 17174 15303 17103 20052 46061 6971 4622 19560 9251 17633 3114 37897 33081 26756 29269 22919 27954 22036 27984 55800 1894 13847 52037 46724 10739 25403 2319 152 5575 15354 14885 15727 14318 19184 17471 8418 1118 607 7668 42952 11701 339 Phosphoenolpyruvate 32131 51740 24052 36991 26613 31305 30557 37303 52256 59355 64023 49878 40642 15976 60434 45903 34763 41501 48672 49593 47355 51270 53877 61395 77355 19611 18943 35137 21593 28235 10305 13474 2984 3501 558 3427 311 2521 440 533 2583 383 62737 2449 21344 2409 2392 1359 3628 2522 2788 2772 2702 1962 2140 1762 786 1282 1815 3627 2299 1211 Pyruvate 11202 6299 6071 5526 6073 7575 7316 8070 6977 6246 5725 3659 6659 5321 4423 3956 3238 4560 6034 10825 4958 4621 4804 6177 4864 4034 1350 4432 4494 3546 6587 1539 1109 1815 7170 4323 10846 14606 9007 4061 3230 2979 1876 4264 3948 4974 1220 2948 977 1331 1705 911 1410 1585 3806 5305 1125 1346 1182 6421 5566 1412 Lactate 11075 747 12683 10500 9733 11362 8990 9059 5085 7079 9996 8719 7506 8550 7118 7929 4049 3650 5074 3669 836 10792 3129 4684 7834 2890 4059 10849 7995 6541 8708 3629 3861 4353 4765 3462 3746 4600 5330 9368 3500 4699 10432 11317 9233 9821 1381 1084 2776 3256 2544 1541 2680 625 3773 2980 3581 3266 3511 4778 242 3059 6-Phosphogluconate 429 997 3002 1269 2938 2760 2666 1154 2577 985 798 1236 770 614 1294 749 794 1331 1137 1323 1428 1811 1328 1183 1044 436 188 644 578 859 789 726 1022 638 246 963 404 1233 848 1128 151 433 972 712 1125 1153 255 331 471 669 884 800 1784 719 669 2623 1148 361 299 284 409 98 Ribose 5-phosphate 110 4537 112 6033 3023 922 181 175 189 84 3622 128 78 12 64 263 4285 204 96 3464 121 177 5635 72 406 155 94 2306 48 151 92 70 133 5201 5831 1953 197 86 106 116 4 96 23934 123 148 152 149 460 94 6862 137 201 98 149 803 148 151 96 192 551 460 121 Sedoheptulose 7-phosphate 18557 26154 19736 17106 22832 16378 14675 17895 36001 26312 13759 28028 7582 7587 17583 11288 22581 20796 69671 22282 28566 31827 27755 24003 40307 6643 229 10833 8919 13995 9504 24521 33868 18368 23724 21758 15894 30113 18711 17133 1995 14025 28327 22573 18232 23199 57231 21118 14723 24482 26808 28914 22676 25306 37542 27307 10725 4793 13442 21205 24389 2705 Fructose 11620 14316 18540 19426 12637 14016 11726 11913 10325 29399 13942 18609 16425 12915 17010 18751 27449 9244 27250 4970 10996 32383 19846 14237 5625 15218 6416 9710 13634 17972 11426 18715 5035 23394 12451 10338 13882 26999 8945 15692 5874 15022 12102 7353 15783 16763 7297 9475 5632 33294 5317 4218 2558 25182 17676 12798 13463 10985 28876 16732 18231 5966 Glycerol 247 4104 1697 2173 8566 1298 1953 1595 1441 533 1140 1183 1442 1788 992 1405 1112 2022 2688 1689 1663 595 1566 2696 1435 1412 1098 1919 2090 2219 1371 914 1283 548 2375 2037 2708 2075 882 1873 1580 978 1039 1313 571 2153 1347 646 2340 1572 1977 1133 734 2355 926 1503 739 293 903 1561 766 1104 Glycerol 3-Phosphate 16004 18574 26125 32410 29122 67159 16736 31114 24213 18096 17857 27217 18899 11144 36715 37971 16750 18804 16815 18127 24355 99371 36670 76229 34350 11062 1962 25143 13179 15857 6996 14759 33911 23515 12240 25755 27149 52517 8521 25366 1203 4942 29441 39429 8629 18212 14098 9869 32196 21059 16215 21114 27661 25863 21306 22374 10027 11050 9492 13610 16981 5611 Uridine diphosphate glucose 76 57 76 347835 210 114 1303 165 164 100 63058 116831 126 134 160 101 189 168 38706 448 125 541731 373808 7 179 72 66 42 16209 114 52 90 26 249 237 250 122 175 208 68 55 110 286 65 37 98 208 193 2187 6841 188 111 75 117 307 122 141 169 130 272 411 72 Uridine diphosphate-N-acetylgalactosamine 184 151 42 69 254 16 18 28 129 46 360 56 227 41 84 114 240 93 48 166 130 78 9 96 105 133 23 114 34 56 74 23 159 1160291 56 24 37 136 12 56 35 131 38 90 128 112 85 134 189 174 67 197 157 73 55 131 31 93 43 86 108 71 Acetyl-CoA 18625 41129 40465 24041 54660 59646 37967 35092 57204 29018 26409 22580 16236 7152 30130 18817 29721 54405 35435 24339 38759 33214 49194 33898 42618 12137 9202 28735 11447 20056 6986 43524 35297 18158 22324 33589 12873 27609 31890 37226 3212 14121 55413 39281 18689 32768 21693 1524 11593 180 25193 26734 316 23109 51 35092 325 121 1061 20765 17021 5972 Citrate(Isocitrate) 2329 3759 2015 2543 5734 2103 11498 4982 3922 1894 12781 1469 1047 9724 1470 688 15138 332 1690 40066 5537 3700 3585 6532 23630 7551 3101 1414 1080 781 180 27212 24164 14880 299 105178 10360 5496 4548 9324 5705 3122 306 635 745 536 20466 8651 7877 5118 6350 4969 4992 5798 14188 15366 394 2303 1577 5163 4493 19 cis-Aconitate 2367 1018 771 3949 1208 1551 1148 6329 5689 6253 1281 3329 7659 6380 3139 1971 3712 1166 796 1156 556 1305 2219 1047 8345 684 500 10746 502 1570 1008 210 1239 1161 2167 969 1734 1541 2346 2340 547 1710 3066 981 339 3793 1547 1083 688 1065 1593 1308 656 873 3154 7053 864 6249 1013 226 2942 580 alpha-ketoglutarate 1265 1055 1797 41 735 775 658 3320 1727 942 4222 480 5244 2586 4295 409 1768 1801 1228 768 391 1162 1255 1507 1251 5566 1045 1002 2570 1813 6619 590 883 1284 538 1192 841 1792 865 14241 850 1412 1526 710 1305 2831 2670 976 838 1528 2537 2957 1447 2398 1073 1788 262 4693 530 5792 709 406 Succinate 265 4157 5254 4877 824 371 661 2470 372 3786 1482 2520 1552 2756 2752 1355 676 5277 6568 106 4560 1259 2606 2032 462 624 637 630 594 233 133 6314 573 2191 4071 6935 411 1635 5749 2941 548 562 626 2297 1051 335 4512 1815 8958 7315 8448 7290 670 5616 2122 1076 1040 891 635 2234 2665 380 Fumarate 9447 8669 9469 9863 9146 8877 10388 11974 8246 8829 16563 9994 4398 2203 6305 8840 9396 8871 12152 11410 14912 14364 14436 15662 12366 10501 555 8082 5964 5719 4342 14070 18562 9984 13316 11697 10510 11446 12059 15229 8662 8675 11411 13022 11771 12479 7289 7563 9395 8583 10230 12667 11339 15073 8691 7116 6457 5853 5505 10321 7614 3451 Malate 1757 21661 21742 25744 25217 20046 24866 35049 25435 10522 30706 26158 37817 19489 15950 32874 32768 22402 24572 29242 44479 47701 38302 34144 38288 60835 5805 21247 29979 20195 26467 12046 39906 48549 40933 29060 2193 41394 52947 33939 102389 23159 35886 37428 53392 47071 23934 29326 12789 2577 32707 35483 38546 44580 44816 29283 51049 30365 3520 31960 45178 36098 Adenine 614 19926 1068 17702 1578 1546 1627 584 1255 3324 811 441 1899 359 188 466 1395 10010 532 701 713 20148 1166 2246 12646 718 1439 7562 231 2459 57 750 511 8809 11611 239 219092 1316 1596 772 389 38601 9125 1780 6029 1154 569 396 5929 1169 7697 860 36204 488 4627 259 680 652 195758 7305 2970 442 Adenosine 192 11293 12370 326 256 8326 666 590 694 433 550 322 492 213 7006 7080 290 1170 250 326 640 261 587 814 12902 487 186 9473 451 305 146 274 14732 653 318 299 265 337 332 174 188 524 226 503 115 397 92 481 983 502 327 5331 350 418 493 813 358 364 536 199 727 140 Adenosine-Monophosphate 445 366 120 55 348 142 361 115 177 221 212 108 94 107 226 113 160 177 299 168 359 312 143 88 160 166 291 219 158 252 351 121 178 250 202 257 417 181 126 409 331 355 329 433 140 432 792 313 3124 458 1203 151 505 258 340 505 213 246 392 280 340 148 Adenosine Diphosphate 125844 119228 75956 133848 144371 202582 167424 152138 161895 60606 86678 101990 48541 39483 107428 82306 69403 193165 144962 132160 194257 158434 168408 185104 89531 35061 12363 117446 37978 93659 29616 135426 105475 84192 128431 97137 116673 93544 122549 118202 14667 35116 136248 109399 59617 87988 94285 85498 99480 101173 99176 133583 102058 123561 103305 86846 36289 26946 50187 104902 44963 16791 Adenosine Triphosphate 285814 280019 39114 201520 120115 130702 147834 349584 284848 197362 296472 188363 121112 36132 191808 174465 178182 409584 313959 209020 266202 411093 264235 361608 245330 55283 29302 101557 41925 97230 26161 179046 113682 157776 141816 243993 125101 89774 217841 182211 15391 40292 214760 285537 33126 63579 54263 34563 209059 197461 138610 145113 201728 172317 114410 56503 21288 32742 65116 160573 81499 24053 Guanine 3939 7993 3285 3460 57075 7834 4837 1731 36056 16736 6868 12015 21114 38790 7852 13165 9656 6721 9561 9279 10799 10581 2425 4245 14012 16194 6537 12424 5325 18176 5133 3302 7772 5995 2613 39346 5008 6780 3931 7248 7496 4593 18080 6733 14301 6368 1707 4903 12972 4380 3749 4027 2600 11687 9014 7832 3626 9864 12552 13058 15493 6879 Guanosine 16557 28806 18259 19096 19979 20717 16313 16264 32242 20641 29979 15841 13417 6355 15799 13048 14294 27055 20389 14649 27285 24576 22886 22215 27039 9789 1519 17679 8571 12249 4017 17149 18897 34102 19796 23110 51655 33953 14539 21907 1765 9980 25869 21385 10122 20095 13828 10451 32312 23028 15379 15881 13697 18263 23314 21414 8697 4484 25751 7475 11285 2701 Guanosine Monophosphate 117 265 115 104 192 202 138 198 135 3161 162 99 2560 1882 212 6047 1041 266 85 190 647 63 230 297 199 78 148 19544 230 15487 396 37 86 405 586 119 77 269 159 134 85 211 29 448 149 95 179 26 165 181 1125 129 240 229 1405 504 4417 250 273 121 110 221 Guanosine Diphosphate 9767 12788 5256 12252 10199 14005 13462 12639 9228 5036 5158 7500 4354 2098 7662 6359 7144 10551 9916 10677 12054 10272 13779 11572 4930 2016 1225 4149 2466 4426 2203 5562 4732 3893 926 4873 5325 6208 6618 4186 446 1784 6568 4148 2755 3676 4383 3485 5780 5944 5864 7733 4905 4190 2862 6248 2138 492 2446 3835 2117 1803 Guanosine Triphosphate 15976 16307 576 9239 3994 3634 6138 15669 10370 10450 10685 8840 5922 858 9364 7379 3610 18139 13917 15593 15977 20718 2734 17847 2656 3193 2158 3590 844 6423 1476 10969 6323 9152 9874 13540 8436 7850 12778 6106 563 3894 12844 12946 250 3674 635 535 14716 1558 9445 12151 10359 10702 8612 5526 963 294 5753 10777 1095 536 cAMP 198 107 105 301 137 112 62 91 276 416 222 210 235 118 226 125 146 192 230 118 114 90 60 50 120 280 59 217 109 194 117 338 105 342 106 375 74 228 176 178 165 90 438 228 237 158 153 275 581 387 139 324 191 378 180 165 65 97 147 133 54 155 Cytidine 2240 2332 2804 2113 2094 3973 1736 2436 3810 2050 3977 2323 1335 967 1335 1086 1752 3273 2428 1639 2527 2912 2290 3323 3787 1742 552 1699 150 1553 1056 3300 6576 6314 3147 3945 9321 3431 2179 3561 290 1826 2811 2396 1464 1951 1254 1159 4553 2941 1423 1725 1295 4019 2410 2697 894 495 4854 1503 1413 1057 Cytidine Monophosphate 632 984 1897 1650 1574 1661 378 815 465 641 258 151 303 610 898 272 684 1653 1606 1504 1686 2448 2077 1805 466 254 162 590 344 242 227 1727 1482 1884 1335 1055 1483 2240 1203 1636 250 443 723 540 541 323 3130 2020 3306 3518 1651 1530 1759 1198 497 527 100 75 436 937 220 199 Cytidine Diphosphate 1994 2372 1790 2291 2679 4559 3494 2651 2259 750 1328 1349 727 322 1166 866 2112 2722 2587 2914 2501 3463 3065 3332 1831 928 235 1274 433 1072 598 2278 2931 1496 2264 2137 2095 1949 2343 2185 315 613 890 1136 848 1100 849 877 1713 1701 1899 2390 1848 1803 1394 1943 512 262 746 1158 479 242 Cytidine Triphosphate 3200 3013 568 2118 897 546 2625 5840 2557 1467 3117 3546 1772 446 3507 2014 796 4209 5867 372 2822 707 2781 3885 5023 548 747 1061 304 1758 566 1204 4530 3027 2987 4393 1502 2042 4111 1190 176 506 1870 2940 1042 553 1729 532 4619 2947 3273 2633 4198 1682 2263 536 426 1015 401 1702 283 296 Uridine 335 54 308 673 235 9872 328 321 825 438 337 1540 299 154 241 360 531 265 259 212 303 371 182 442 405 5891 240 290 352 224 39 491 179 206 77 392 386 328 441 209 276 311 451 34 328 308 492 198 1583 256 554 310 432 351 205 224 113 282 232 211 7530 140 Uridine Monophosphate 206 453 111 117 148 412 146 287 988 122 84 98 132 325 316 261 39 292 166 1083 111 235 177 396 120 475 235 283 217 108 119 90 111 162 271 171 602 170 309 216 242 237 350 288 225 468 662 890 611 301 356 848 295 326 1004 208 279 436 148 370 329 450 Uridine Diphosphate 13612 16206 7767 13234 13399 30542 19758 17943 7002 4227 6880 7772 3195 966 4974 4729 12382 15050 14115 17489 15101 17833 23149 21811 15620 1626 1106 2755 1451 3448 1830 22043 15481 9474 17475 17404 15628 12870 20972 14954 900 1569 10413 7284 2249 3695 3519 1496 6178 13471 10541 13361 11594 12857 3252 5156 936 1201 2558 8090 2178 868 Uridine Triphosphate 16532 17626 804 15437 9198 10907 16471 24742 15508 14332 24492 12262 7977 2839 15643 12823 9144 12329 14766 13657 12870 20402 16181 21261 19639 3595 1953 3415 1713 7821 1026 4664 1475 8838 7473 4258 8201 5478 12559 17701 752 2113 9201 11942 1868 4553 607 351 14565 10209 10925 11034 12428 13997 5921 739 538 307 424 10401 4731 237 Inosine 225 179614 53659 7928 619 155 262 317 1833 2724 256 5809 318 94 593 363 128 12094 161 249 271 773 820 4717 5290 275 277 24744 3968 310 363 196 351 443 635 138880 545 190 41642 47109 412 298 6012 347 440 208 166253 73921 229325 144 389 585 19110 4489 528 209 158 389 202 281 215 271 Inosine Triphosphate 4798 4633 474 3242 2207 2274 2943 5022 4584 3424 4948 2317 2231 59 3124 3053 3317 6988 5760 5068 5179 6834 5684 5488 4387 1316 688 1334 393 2029 688 4548 2858 4093 4104 4777 3249 2673 4789 3904 602 1316 4647 6345 601 2354 2622 709 5005 4597 4092 4335 4657 4593 3133 2019 253 1178 1867 4876 2338 974 Inosine Diphosphate 110 488 75 368 65 2148 629 362 84 217 266 176 252 41 82 130 386 1142 58 574 720 558 73 856 579 233 105 74 145 351 3 711 382 962 136 335 1890 312 1026 655 205 102 657 692 70 160 924 4913 287 161 176 609 167 453 79 79 13 117 72 145 91 54 Inosine Monophosphate 94 155 393656 345 5769 267 59378 93858 43 13419 967 209 149 174 65 207 146 108 229 385124 206 457 195 2322 1290 229 181 210 190 1652 272 186 334 248 461 82 1979 3745 159 2261 148 1501 415 625 128 149 30 4269 238 205 2304 2972 73 2298 1934 62 189 206 107 148 252 528 Hypoxanthine 823 840 806 643 899 1206 959 1010 557 591 523 757 760 467 723 141 1044 196 319 1838 714 661 814 833 819 1031 1414 198 364 793 412 1388 1723 1011 710 987 523 1567 552 534 523 330 1055 1729 1437 2188 929 48 584 984 1279 709 1022 689 457 1350 941 2321 526 1720 303 634 Xanthine 38 268 267 26 129 82 105 22 304 87 68 175 224 69 261 303 66 49 150 35 111 91 195 337 162 35 148 55 137 56 126 81 91 51 55 44 64 30 69 39 85 89 180 120 159 92 91 78 57 63 64 52 67 132 107 93 91 59 360 47 180 45 Ribose 8655 2753 32390 33140 6840 27335 19305 28025 3871 3503 1699 32164 2386 5614 2119 1561 28777 24232 24061 26556 52954 56432 30195 48348 6881 5722 466 2670 9525 1938 8877 35948 24607 27469 33789 34694 27926 43542 34326 15964 500 1585 10666 17585 7806 2165 29583 10855 30809 42363 60830 52295 56987 54906 18125 21186 966 8807 16612 10111 7900 3402 Phosphoribosyl Pyrophosphate 53 145 146 73 143 41 199 55 53 76 217 109 203 277 86 86 57 103 76 193 99 190 39 180 274 64 43 59 239 97 97 78 39 72 254 269 66 56 83 41 55 154 33 109 141 241 123 132 186 87 160 100 66 77 54 122 38 60 25 95 93 77 Orotate 375 315 193 221 215 232 407 346 239 318 403 208 238 472 301 265 235 164 278 1150 857 224 489 329 199 205 104 140 295 418 166 782 349 219 490 175 253 295 171 451 199 290 149 606 189 393 192 488 278 376 360 313 273 400 216 838 332 290 466 239 348 846 Dihydroorotate 349 205 157 164 401 165 379 122 123 87 126 188 104 202 327 265 282 101 367 282 424 473 211 216 167 121 98 259 117 68 166 282 553 288 277 428 218 425 228 253 211 103 104 132 593 269 190 145 210 221 108 332 258 330 249 193 267 243 369 185 152 183 AICAR 679 617 308 618 398 326 331 771 423 148 1368 320 730 428 583 1 684 600 550 504 773 138 428 251 456 1290 228 1142 908 943 1095 678 534 440 577 364 361 140 252 569 715 1087 1464 646 1570 1107 595 468 367 660 405 650 564 667 912 626 281 376 567 529 657 300 Alanine 126432 227394 187347 160279 283547 262689 244474 211540 194331 70003 138863 72679 60314 26963 82855 65656 148793 354441 255855 301555 240449 222305 293516 270546 123714 39539 41674 88313 36334 56890 25182 252233 320417 305544 243822 296812 498378 290820 239776 123840 24016 49818 135292 96118 64672 78747 295824 169535 391397 319393 314716 291440 301899 236683 175743 174437 41417 28612 191077 72380 60077 27585 Arginine 221 92 217 35 60 66 65 271 313 113 124 252 110 94 122 147 56 188 180 75 261 129 265 186 220 72 138 137 165 96 106 285 86 168 216 148 82 239 142 103 53 54 91 270 212 164 131 128 49 133 131 156 57 119 94 143 94 114 45 138 122 39 Aspartate 1229 1616 624 1108 840 1369 681 1206 998 2375 1975 2979 1830 2094 4032 1656 2087 396 3270 2483 1668 1325 3883 825 6224 3396 2626 992 3310 1802 1443 731 5393 4816 800 1883 5321 2057 851 1521 4066 2714 4644 1809 1320 5737 161 2152 584 815 1793 2104 1393 5174 2236 1579 1327 1486 220 2815 2106 2509 Glutamate 8564 9810 9882 5939 7599 8597 5042 13101 9503 11239 41319 9098 3613 3770 9917 7807 5418 5886 5169 6740 6807 5886 5163 4603 6609 4402 1514 4330 4075 3236 2469 6324 5921 3676 5860 5085 2310 3527 5997 3763 2239 2389 3349 5210 3684 3772 50592 42599 5270 1287 2482 1239 1295 8187 1604 932 2384 1545 2841 1233 1566 2066 Glycine 452 851 131 1230 980 952 239 937 371 719 884 409 205 420 330 286 639 1174 671 1203 1290 683 341 946 1284 942 881 612 588 458 615 829 1307 626 985 828 939 593 1225 1237 533 1023 578 1126 801 805 1512 870 1710 1348 1632 1035 568 2357 1267 1185 1350 1017 1624 962 935 376 Leucine 118869 265 89179 637 1707 457 516 15 4434 4878 7219 15109 42068 1302 710 5371 263 25084 147447 39260 1903 400 204 146274 9151 24568 887 382 29858 36051 135 267 139380 166959 96784 132 211 135680 135525 98294 833 7639 89149 284 944 66602 185210 813 231147 7893 118712 18256 313 87947 79840 217 42940 255 109038 81138 43814 9059 Isoleucine 118869 152336 111994 160729 152331 191965 188874 191828 128815 71296 68911 71453 42068 20428 51230 42316 98484 153205 147447 234582 216236 172503 161199 146274 152231 24568 5844 44260 28085 36051 21826 209282 139380 166959 96784 172886 94100 135680 135525 98294 23346 39238 89149 54589 45549 66602 185210 104529 288228 168672 118712 178912 154034 87947 79840 128591 42940 30758 109038 81138 43814 21284 Valine 159 232 390 188 448 109076 148 212 607 198 397 730 215 138 171 379 420 456 267 165 801 365 200 636 395 422 5 165 338 289 265 474 328 529 210 255 252 128 1295 352 258 475 650 246 520 94 458 582 253 154 390 149 176015 243 271 225 249 555 236 6805 487 847 Lysine 175 141 201 24 100 195 64 180 59 144 177 132 108 328 98 141 73 177 85 69 198 58 95 300 202 233 105 179 238 80 169 302 69 84 106 167 93 139 153 54 24 51 176 263 168 186 253 136 101 94 36 96 42 112 62 121 74 198 65 104 179 38 Methionine 250 96 82 74 93 202 201 49 72 96 228 83 64 114 84 176 197 177 87 143 120 102 10357 320 242 155 201 66 267 70 5892 158 278 240 156 98 148 136 67 81 133 280 152 95 102 91 115 405 305 97 228 266 121 205 88 1255 88 120 225 154 552 460 Phenylalanine 635 1243 513 563 623 1047 361 182 689 756 202 731 429 890 185 223 975 719 341 483 566 620 308 324 225 638 784 352 873 255 267 175 565 476 319 332 61 707 356 539 138 252 811 435 473 645 334 330 313 92 170 705 558 411 143 599 264 106 443 737 256 581 Proline 80639 128888 56693 82215 74449 108633 131009 72365 121383 40429 35377 37161 34954 13180 42844 66377 60048 53940 70045 133253 72075 102495 107363 92951 75056 17367 1186 51312 29968 55511 18787 113006 63274 70568 29523 92334 15396 63689 43466 28337 7748 13495 42756 19276 15123 21224 29312 25385 45240 69490 68042 79586 100857 22899 21628 50671 14042 11400 17678 35403 10366 5851 Serine 8537 1940 5640 9004 2527 3864 2035 1848 2048 8065 4186 5386 3480 4385 5103 4614 11297 14930 15503 17670 13082 10618 10672 15672 11072 1321 551 6006 6666 7268 879 23129 30739 20483 18172 18161 20622 12937 13078 23391 1662 14840 10656 9388 11193 12315 17199 502 303 22025 23097 31701 17423 44996 25011 13294 12723 14614 429 19316 14901 7728 Threonine 288 25664 1894 2263 1222 4190 1794 1236 1173 3557 1312 3317 2255 21357 2331 2189 1365 1233 157292 1195 5549 1431 6666 882 974 1410 1325 1965 1731 2506 21400 156 3608 714 627 199 616 1490 539 609 1671 1515 1035 249 1121 1266 195 181 241 533 705 879 399 443 1068 1248 1401 48 6591 118225 677 753 Tyrosine 13771 27561 21222 24354 21546 15933 21338 21477 31502 15152 17768 19113 14589 5910 10314 7626 16207 17154 23492 42517 36450 23982 15504 22584 34487 9184 547 10581 1026 10157 6928 30671 778 244 15527 1279 32960 1121 17870 28071 456 11205 26093 24463 13996 25591 317 8 579 766 990 860 959 20227 1236 766 284 285 43729 578 426 8546 Glutamine 723027 946574 806779 845507 1044143 1075602 1064116 980769 816914 330419 499540 526670 346540 152997 542308 469365 172 55549 110 962213 45325 1101701 1084487 4471 706387 275414 3909 586567 302777 486325 212339 512 63391 71412 364 833670 984 96325 227820 83126 4229 147 588971 28920 65787 152769 1493 170152 736992 18 134773 329 25087 36 210515 4422 1168 69 3363 363132 303498 361 Asparagine 74321 81697 450 87024 51 14020 84664 96448 126954 58117 199530 85952 62708 35121 89968 90903 2414 73225 316 46297 119716 94551 1382 18380 122989 54065 5849 9261 64703 97209 47806 2220 4016 2010 2724 120019 37389 24622 1870 114664 13310 2432 24121 136924 66272 2160 424 350 246 2510 1428 103948 1616 2025 25431 21526 61757 223 20767 2781 74551 582 Histidine 231064 261919 258434 267072 329320 301383 303687 304076 235239 162432 259162 181850 118090 55000 167087 184041 157704 243004 244140 233544 262530 277018 313794 287312 254684 1563 48722 145553 93801 120553 65192 3298 273683 146789 12762 226234 144 170 203290 24641 4322 1599 169732 157772 3325 4343 1379 432 649 2275 2656 2759 2851 12756 3878 3788 3258 1901 101 480 1499 1848 Tryptophan 18594 27063 25045 21228 21831 20316 26800 25778 19345 7761 20074 9854 5010 3074 7341 5952 19985 24603 18410 24550 27563 24309 31924 23257 25627 4590 1306 7811 3676 6269 3433 31520 26697 26613 19038 16972 23130 23150 21571 21424 2424 6720 15863 13487 7710 13170 16310 8957 28933 20101 23208 23654 24713 14001 14296 15091 5669 3315 15330 11221 8552 2130 Creatine 57348 94472 95333 76563 118748 129401 129387 103821 78625 33243 24641 38485 30682 15150 45005 32250 81236 176883 116588 141287 113372 109093 151410 124642 53171 19635 25428 49246 18380 32851 11372 128829 190342 170829 129305 145295 317110 175711 146810 72472 16771 25325 71313 52875 38495 45070 152137 110885 218166 179658 192835 167990 171362 135038 68049 82228 22521 17569 119061 46752 40829 18735 Creatinine 400 892 800 625 663 1281 484 474 807 1067 369 817 425 294 1105 418 743 551 273 496 611 1496 171 1317 1015 611 251 305 117 319 860 221 497 984 237 803 1009 179 669 820 484 492 1188 1288 253 239 498 1101 1132 692 591 357 502 246 345 329 197 668 1162 249 368 40 Phosphocreatine 235 341 94 241 144 155 217 371 17965 175 119 13190 101 648 181 360 4916 476 216 104 159 341 528 5269 231 128 227 63 149 533 352 84 425 1156 381 31643 6041 1048 196 1497 101 872 293 122 1134 158 3226 338 34151 25658 15432 711 27148 966 278 1015 89 247 1120 1305 1613 3466 NAD+ 277 358 256 90 67 1007 78 582 94 301 835 8 729 39 1105 59 94 372 80 567 64 717 93 2 210 229 40 16 156 50 54 160 105 83 132 49 193 75 42 278 62 32 983 43 572 108 94 73 722 68 244 117 79 70 64 73 52 212 349 33 27 47 NADH 61 75 30 98 135 20 37 26 17 52 141 79 70 91 118 128 77 47 22 200 72 154 199 55 71 89 161 67 146 87 139 23 97 128 37 36 66 56 153 54 105 69 50 69 168 95 58 122 117 128 50 107 103 40 61 259 90 96 46 144 63 118 FAD 38 132 152 108 265 352 189 243 109 110 113 169 15 82 231 98 51 162 74 181 158 193 311 287 266 101 87 185 28 109 56 179 30 244 126 157 112 85 104 127 41 57 103 113 88 67 106 105 64 186 35 102 100 215 61 118 32 77 307 41 15 61 NADP 8965 6258 7098 6008 8503 10146 5656 5454 7379 4746 3786 4261 3618 2464 6492 3845 5461 7281 6532 5566 6679 6189 6453 6271 3842 1807 1235 4585 1991 3070 1837 5323 5207 5395 4504 4867 6455 6176 4866 2432 1129 1705 3964 6419 2109 3883 3243 4712 3879 4824 5069 5657 5100 4240 6750 7531 2083 1752 3118 3818 3855 2069 NADPH 193 256 88 271 148 137 425 12530 597 116 12786 197 8925 96 58 515 45 59 187 304 186 572 169 7203 106 606 338 278 189 203 142 744 0 265 209 192 75 183 642 406 248 140 257 194 783 95 85 273 169 170 88 233 347 290 239 250 159 162 52 316 339 187 Folate 33 177 99 77 91 71 158 114 13 45 85 67 119 46 219 160 50 107 89 32 110 226 149 61 144 141 216 129 37 57 126 60 42 90 110 122 34 77 64 31 152 93 100 77 62 31 24 77 208 50 187 173 46 46 67 62 64 53 145 55 39 121 Dihydrofolate 130 141 214 85 114 203 111 11 112 122 54 64 288 98 119 422 105 53 45 47 66 75 107 40 72 77 53 80 126 39 135 113 120 107 84 90 155 239 125 32 223 232 81 90 78 214 175 60 75 83 154 105 68 151 219 34 226 168 49 212 65 96 Tetrahydrofolate 208 872 933 446 1058 554 1047 590 1070 409 194 236 821 350 281 83 592 1814 1261 1562 1139 1890 1063 1047 1351 442 19 209 296 203 157 679 966 1018 395 1397 194 1390 1134 840 141 495 578 662 207 225 747 623 2202 1459 948 902 1096 642 371 1205 156 105 757 525 268 290 S-Adenosylhomocysteine 33524 32266 27079 9878 9128 30199 8447 25288 14998 9898 6086 6906 6836 2408 8846 4073 62193 66744 77210 66637 79618 73189 65564 60539 17520 5172 2189 20049 6356 18882 4159 74280 102365 68024 82665 77143 81708 81476 63151 74978 5888 30043 62190 61098 38971 56301 14594 10911 12692 87386 82505 89493 85131 85099 79177 59595 19091 21982 30355 47413 35387 7418 S-Adenosylmethionine 1661 249 1506 1639 2172 375 176 155 293 285 253 1260 962 95 141 903 82 87 432 586 27 274 312 148 1656 97 123 190 152 83 209 166 127 272 109 287 131 72 553 448 142 86 54 264 229 91 98 137 420 484 414 369 251 290 173 172 3 61 683 118 184 59 Homocystine 89 345 40 234 110 354 235 105 313 276 108 138 387 76 269 83 214 75 221 168 329 208 192 8 228 224 84 245 173 26 73 363 224 107 186 215 688 137 242 190 150 159 195 64 98 254 141 201 448 220 144 81 245 301 172 121 122 363 98 314 53 52 Glutathione Disulfide 110 360 884 21 52139 13983 51032 52591 586 209 206 19614 6034 38 27857 22206 192 19104 139 5324 342 257 46401 356 263 541 194 164 68 9719 67 305 3522 10261 361 251 244 276 15875 192 53 159 300 422 560 6645 200 342 285 332 407 253 213 350 253 282 189 88 203 8411 2631 293 Glutathione Reduced 3987 1930 3460 3384 6159 1352 1213 3991 3442 6407 2559 4763 7585 6517 5272 6215 1219 1226 1562 2275 1891 5477 2636 2272 2335 2825 13098 4345 3334 4216 4031 1362 6942 1499 1062 1491 1683 2066 404 1441 1383 1768 1370 1823 2702 2264 1753 1665 1627 1732 1743 1560 1897 1463 1431 1111 1052 1312 454 1115 2011 1360 Cys-Gly 1814 15040 12125 13150 20319 25029 22396 10043 17983 1014 24993 9968 3364 581 674 4889 15257 18224 18336 18598 19215 21524 14514 21634 12010 4865 443 2304 653 5998 951 16360 12254 12944 11964 22203 12492 12383 14184 16757 452 6845 16280 16478 5311 13432 13570 14303 22187 17864 17358 19790 18349 14900 14222 8067 860 1226 2800 5365 7986 1075 Cystathionine 118 533 427 12971 661 1019 737 1370 453 316 319 10380 82 492 385 227 2123 1682 1011 609 1863 864 1528 947 617 315 392 231 287 307 362 505 1832 2690 183 3004 444 1222 911 412 332 149 465 397 871 402 657 794 3237 2970 2194 2127 1993 702 706 2427 789 407 660 295 1416 175 Cysteine 145 53 93 105 32 20 109 102 79 98 57 123 38 10 167 122 70 75 45 166 15 118 72 144 92 111 42 8 37 12 43 38 25 44 67 71 72 87 135 49 5 45 116 112 182 29 177 98 134 90 141 27 96 245 210 119 76 11 34 78 65 87 Pentanoate 1478 884 580 1488 2999 5908 943 1588 2041 2792 2094 1286 3069 4447 3245 7986 4448 889 2768 3088 943 1724 1793 2435 87 1585 3386 5041 2958 5161 1205 3322 2285 2868 3421 1071 1791 867 5145 1202 3010 4426 3100 1994 1420 2783 679 1775 1186 503 647 1267 3495 1910 674 1449 244 2001 3633 5348 642 1005 Biotin 345 339 744 735 321 912 523 393 643 409 741 622 299 173 730 360 680 606 241 664 681 919 472 975 487 242 707 335 100 295 368 805 901 1165 874 778 1175 1013 306 342 386 418 555 689 170 260 340 598 157 835 257 141 408 518 409 772 391 280 1015 950 354 428 Pyridoxal 120749 120419 128349 122819 119626 122276 122064 129246 127529 133040 137648 135589 144975 157056 138094 144337 136303 118941 135348 101415 119188 127945 128420 127589 135003 154794 173063 147699 155534 144353 164953 122600 120710 76613 145560 96934 110448 129047 78565 112813 160334 147636 127892 110784 143883 148293 41044 104144 44715 81831 54966 77240 54226 109010 138567 92844 143773 156908 81307 131616 110718 162041 Pyridoxine 691 1390 361 1012 1248 1457 1175 1110 715 1407 566 843 1826 1309 656 1382 1485 1335 1274 1170 938 1617 1077 1192 1062 1136 1527 1497 887 1667 1401 727 648 784 1481 784 1148 1220 705 1542 1199 1768 1132 1011 1420 962 744 909 1310 1030 1074 1676 581 797 328 1159 1113 1392 974 1274 1271 725 Citrulline 35894 77966 43129 57615 44938 65763 47467 43145 56004 28860 17633 23976 23341 35748 31521 30104 32257 57251 30337 47817 43793 71933 49548 45854 31775 20394 1811 34273 14045 26636 8121 71375 25989 41911 30438 34748 21596 56240 74225 57658 6834 7951 27829 33670 17411 17277 27805 24790 45715 55638 37906 27161 64621 14437 28833 26822 14330 9143 10942 15967 18538 11482 Ornithine 57 107 16 125 44 28 62 182 114 105 178 113 70 126 79 152 102 102 107 84 54 76 73 101 121 98 41 30 136 44 217 43 59 196 100 40 77 39 95 54 86 118 130 210 168 118 79 127 134 120 136 264 166 103 136 172 136 118 43 118 57 68 Uracil 12341 17517 29083 19008 12846 15607 18582 13688 18297 13920 13523 10945 5795 4357 9218 9705 18401 13695 13727 15065 20376 18181 15387 16407 25635 8181 4534 10717 6120 7499 3646 18501 37222 24948 18867 26534 33998 35460 16173 34779 2189 9944 20287 8462 10691 17754 7502 6550 12132 18797 12846 12120 12439 24679 19832 19131 5750 5280 26586 6682 8870 1395 Dihydrouracil 311 353 491 251 735 262 281 467 631 296 219 516 139 474 524 165 326 568 321 447 1352 858 390 466 737 123 191 194 594 141 745 421 259 41 153 216 304 417 293 736 323 531 481 776 622 852 421 171 293 369 470 301 401 218 602 686 643 873 709 175 183 557 Propanoate 865 5217 2987 3726 4386 3803 4333 5801 2857 1942 682 4360 1253 939 4603 563 2969 761 3328 4200 4951 5398 4524 5001 5743 2236 310 3303 357 1964 1318 5888 3199 5230 4154 4552 6019 2270 3445 6931 3251 1337 2615 2343 4144 4183 1598 2624 3310 4434 4288 3318 2731 4761 4332 3497 2715 989 437 2509 2086 1794 Acetoacetate 3316 17023 2382 7831 3470 1827 2340 1655 4945 5330 1155 5215 4063 2980 2069 1887 4852 2487 1088 1186 12361 4988 4617 3343 9171 3128 329 2020 1099 2079 2026 2016 1865 8195 17035 1840 15425 1390 9725 13742 1469 2228 5499 5695 2218 5779 824 417 838 911 1880 661 6316 853 2515 5181 3051 704 4559 302 390 995 3-Hydroxybutyrate 1695 3686 41968 1753 1431 93650 636 4957 89748 3701 2767 27457 2788 13556 3186 29655 568 7037 557 1639 7412 1627 537 75859 27355 1489 243 4359 18053 2542 1942 5310 7146 5621 6796 1712 6888 7626 59239 375 3461 2277 2470 6675 4371 1641 1526 1383 6704 3873 4676 126 309 1088 2944 5030 4111 3551 2657 7230 1698 1537 3-Sulfinoalanine 261 265 519 86 281 422 177 404 359 493 381 250 300 512 263 432 290 863 38 187 17 290 250 803 551 181 237 169 452 173 212 279 173 145 376 195 123 476 310 475 269 433 387 531 883 468 764 306 392 246 301 269 185 105 638 328 143 218 496 522 311 329 3-Methylcrotonyl-Coa 44 48 52 67 82 75 28 78 50 44 23 87 56 70 34 101 25 72 71 137 26 89 25 92 79 107 33 17 88 11 38 74 41 109 51 28 121 80 43 18 67 57 56 49 32 62 17 169 94 24 8 48 45 56 36 86 67 49 23 49 12 71 5-Hydroxylysine 73 7 26 59 49 25 71 19 40 99 25 100 69 37 136 58 85 126 48 75 46 19 59 34 100 62 128 63 47 93 46 31 33 44 135 26 15 10 15 39 63 108 29 40 111 59 51 32 8 121 13 94 14 46 56 39 65 32 17 133 61 65 Kynurenate 270 266 407 278 416 423 370 252 378 258 299 417 236 306 240 138 515 263 475 317 452 529 526 264 532 415 120 210 160 322 315 338 354 230 208 592 234 413 272 311 172 273 280 205 128 398 297 633 502 286 566 398 211 253 235 228 125 177 206 287 274 296 Kynurenine 232 308 111 626 328 261 370 65 940 676 554 602 663 261 390 412 430 158 363 148 176 248 225 200 392 269 588 670 461 451 257 219 251 86 214 619 96 509 284 837 436 762 868 1062 1225 459 339 243 811 99 436 422 286 552 1259 549 359 197 322 1199 837 1943 Nicotinamide 2252 66212 925 3029 4398 6757 2791 2842 5523 1789 2096 1459 2168 1421 2824 1521 1576 7626 4656 3851 5340 9300 7849 6273 93674 1666 559 1739 424 1335 479 4319 1166 4574 1425 6858 4376 4569 2118 1165 6391 1442 4819 2195 1228 1552 3621 1877 99762 6247 3780 3897 4368 2728 1930 2774 780 260 2050 1042 10679 249 Nicotinate 215 112 117 195 304 82 328 188 213 213 301 189 181 237 454 137 132 200 118 355 252 365 214 169 191 319 516 174 141 251 220 189 191 305 312 109 284 170 422 104 86 248 312 330 294 288 148 285 261 207 334 64 92 255 407 99 141 161 263 272 283 218 Nicotinic Acid Adenine Dinucleotide Phosphate 1442 972 923 212 1065 1264 155 188 996 59 501 55 536 349 178 121 197 146 1149 128 171 219 947 1175 773 300 67 103 174 59 451 161 201 120 198 125 155 240 197 121 260 255 254 1079 568 267 73 229 307 199 151 1170 160 306 310 93 89 79 83 120 151 75 Isopentenyl Pyrophosphate 302 619 590 354 458 1778 13310 396 786 10932 9482 1168 1118 401 659 9471 208 710 595 560 402 504 242 670 483 715 414 894 529 11876 1080 218 511 704 115 488 422 503 204 425 155 357 244 321 71 440 2613 704 1181 376 374 1778 1770 2793 4365 2375 757 1473 2670 321 1515 3165 Mevalonate 4534 6006 4761 4744 6063 6167 6341 5742 4754 2200 3856 3491 2580 1209 3935 3490 5596 6058 5757 5830 245 5822 6466 6441 4402 1787 344 4330 1966 3338 2078 304 4212 97 31 5049 281 4336 126 84 229 1861 3538 4319 2805 2158 356 2397 130 329 394 39 196 3542 67 229 274 413 229 121 84 1490 Phosphoserine 225 244 149 33 60 61 77 76 292 145 246 364 292 163 62 115 118 202 166 78 63 213 51 170 295 61 420 116 450 70 206 201 333 249 186 125 257 126 153 68 61 121 142 95 106 122 652 290 325 289 160 166 69 179 38 165 8 107 142 203 132 252 Pipecolate 39 77 92 253 194 280 205 138 162 108 163 262 106 120 201 247 156 79 126 130 152 77 150 186 258 153 89 75 128 161 96 346 129 40 53 277 49 98 139 544 131 134 195 131 109 52 149 111 143 81 239 133 155 119 172 164 136 60 154 265 215 103 Oxoadipate 1084 1250 419 1336 1575 1088 3072 4075 3079 1012 472 1239 1370 1318 1172 896 2334 839 4050 1031 3453 2351 874 3062 1644 1222 819 687 1303 2485 689 970 904 1435 327 1835 2003 1021 3076 1493 704 1609 1775 2320 1988 840 858 2566 1291 1996 1267 2283 1697 1904 3556 1694 2341 515 1184 1880 752 369 a-Aminoadipic acid 6567 11330 8965 10138 9421 12113 11241 20085 13584 5924 36219 8717 3790 2509 5424 7362 6664 12487 10139 11113 15181 11220 14594 8827 18480 3579 661 5538 2688 5112 3005 6881 7076 3959 9070 6578 2869 4559 4062 10462 1125 4998 9703 8089 9147 8846 12326 6012 8505 5154 4457 4979 5082 6320 4608 4817 3015 2809 2211 5156 3352 1587 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ID KEGG ID Alpha-D-Glucose 79025 C00267 Glucose-6-phosphate 5958 C00092 Fructose-6-phosphate 69507 C00085 Fructose-1,6-biphosphate 10267 C00354 Dihydroxyacetone Phosphate 668 C00111 2/3-Phosphoglycerate 59 NA Phosphoenolpyruvate 1005 C00074 Pyruvate 1060 C00022 Lactate 107689 C00186 6-Phosphogluconate 91493 C00345 Ribose 5-phosphate 440101 C00117 Sedoheptulose 7-phosphate 616 C05382 Fructose 439709 C00095 Glycerol 753 C00116 Glycerol 3-Phosphate 439162 C00093 Uridine diphosphate glucose 8629 C00029 Uridine diphosphate-N-acetylgalactosamine 1167 C00203 Acetyl-CoA 444493 C00024 Citrate(Isocitrate) 311 (1198) C00158 (C00311) cis-Aconitate 643757 C00417 alpha-ketoglutarate 51 C00026 Succinate 1110 C00042 Fumarate 444972 C00122 Malate 222656 C00149 Adenine 190 C00147 Adenosine 60961 C00212 Adenosine-Monophosphate 6083 C00020 Adenosine Diphosphate 6022 C00008 Adenosine Triphosphate 5957 C00002 Guanine 764 C00242 Guanosine 6802 C00387 Guanosine Monophosphate 6804 C00144 Guanosine Diphosphate 8977 C00035 Guanosine Triphosphate 6830 C00044 cAMP 6076 C00575 Cytidine 6175 C00475 Cytidine Monophosphate 6131 C00055 Cytidine Diphosphate 6132 C00112 Cytidine Triphosphate 6176 C00063 Uridine 6029 C00299 Uridine Monophosphate 6030 C00105 Uridine Diphosphate 6031 C00015 Uridine Triphosphate 6133 C00075 Inosine 6021 C00294 Inosine Triphosphate 8583 C00081 Inosine Diphosphate 644173 C00104 Inosine Monophosphate 8582 C00130 Hypoxanthine 790 C00262 Xanthine 1188 C00385 Ribose 5779 C00121 Phosphoribosyl Pyrophosphate 7339 C00119 Orotate 967 C00295 Dihydroorotate 648 C00337 AICAR 65110 C04677 Alanine 5950 C00041 Arginine 6322 C00062 Aspartate 5960 C00049 Glutamate 33032 C00025 Glycine 750 C00037 Leucine 6106 C00123 Isoleucine 6306 C00407 Valine 6287 C00183 Lysine 5962 C00047 Methionine 6137 C00073 Phenylalanine 6140 C00079 Proline 145742 C00148 Serine 5951 C00065 Threonine 6288 C00188 Tyrosine 6057 C00082 Glutamine 5961 C00064 Asparagine 6267 C00152 Histidine 6274 C00135 Tryptophan 6305 C00078 Creatine 586 C00300 Creatinine 588 C00791 Phosphocreatine 587 C02305 NAD+ 5892 C00003 NADH 439153 C00004 FAD 643975 C00016 NADP 5885 C00006 NADPH 5884 C00005 Folate 6037 C00504 Dihydrofolate 98792 C00415 Tetrahydrofolate 91443 C00101 S-Adenosylhomocysteine 439155 C00021 S-Adenosylmethionine 34756 C00019 Homocystine 10010 C01817 Glutathione Disulfide 65359 C00127 Glutathione Reduced 124886 C00051 Cys-Gly 439498 C01419 Cystathionine 439258 C02291 Cysteine 5862 C00097 Pentanoate 7991 C00803 Biotin 171548 C00120 Pyridoxal 1050 C00250 Pyridoxine 1054 C00314 Citrulline 9750 C00327 Ornithine 6262 C00077 Uracil 1174 C00106 Dihydrouracil 649 C00429 Propanoate 1032 C00163 Acetoacetate 96 C00164 3-Hydroxybutyrate 441 C01089 3-Sulfinoalanine 1549098 C00606 3-Methylcrotonyl-Coa 9549326 C03069 5-Hydroxylysine 3032849 C16741 Kynurenate 3845 C01717 Kynurenine 161166 C00328 Nicotinamide 936 C00153 Nicotinate 938 C00253 Nicotinic Acid Adenine Dinucleotide Phosphate 165491 C00857 Isopentenyl Pyrophosphate 1195 C00129 Mevalonate 439230 C00418 Phosphoserine 68841 C01005 Pipecolate 849 C00408 Oxoadipate 71 C00322 a-Aminoadipic acid 469 C00956 METABOLITES_END #END