#METABOLOMICS WORKBENCH lafrano_20230324_084640 DATATRACK_ID:3818 STUDY_ID:ST002827 ANALYSIS_ID:AN004614 PROJECT_ID:PR001769 VERSION 1 CREATED_ON August 24, 2023, 7:12 am #PROJECT PR:PROJECT_TITLE Multi-assay nutritional metabolomics profiling of low vitamin A status versus PR:PROJECT_TITLE adequacy is characterized by reduced plasma lipid mediators among lactating PR:PROJECT_TITLE women in the Philippines: A pilot study PR:PROJECT_SUMMARY Low vitamin A (VA) status is common among lactating women in low-income PR:PROJECT_SUMMARY countries. Lactation has substantial effects on mother’s metabolism and VA is PR:PROJECT_SUMMARY required in multiple biological processes, including growth, vision, immunity, PR:PROJECT_SUMMARY and reproduction. The objective of this pilot study was to utilize metabolomics PR:PROJECT_SUMMARY profiling to conduct a broad, exploratory assessment of differences in plasma PR:PROJECT_SUMMARY metabolites associated with low VA status versus VA adequacy in lactating women. PR:PROJECT_SUMMARY Plasma samples from lactating women who participated in a survey in Samar, PR:PROJECT_SUMMARY Philippines, were selected from a cross-sectional study based on plasma retinol PR:PROJECT_SUMMARY concentrations indicating low (VA-; n=5) or adequate (VA+; n=5) VA status PR:PROJECT_SUMMARY (plasma retinol <0.8 or >1.05 µmol/L). The plasma results collected from six PR:PROJECT_SUMMARY metabolomics assays (oxylipins, endocannabinoids, bile acids, primary PR:PROJECT_SUMMARY metabolomics, biogenic amines, and lipidomics) were compared by group using PR:PROJECT_SUMMARY liquid chromatography mass spectrometry. Twenty-eight metabolites were altered PR:PROJECT_SUMMARY in the VA- versus VA+ status groups, with 24 being lipid mediators (p<0.05). PR:PROJECT_SUMMARY These lipid mediators included lower concentrations of arachidonic acid- and PR:PROJECT_SUMMARY eicosapentaenoic acid-derived oxylipins, as well as lysophospholipids and PR:PROJECT_SUMMARY sphingolipids, in the VA- group (p<0.05). Chemical similarity enrichment PR:PROJECT_SUMMARY analysis identified HETEs, HEPEs, and DiHETEs as significantly altered oxylipin PR:PROJECT_SUMMARY clusters (p<0.0001, false discovery rate (FDR) p<0.0001), as well as PR:PROJECT_SUMMARY sphingomyelins, saturated lysophosphatidylcholines, phosphatidylcholines, and PR:PROJECT_SUMMARY phosphatidylethanolamines (p<0.001, FDR p<0.01). The multi-assay nutritional PR:PROJECT_SUMMARY metabolomics profiling of low VA status compared with adequacy in lactating PR:PROJECT_SUMMARY women was characterized by reduced lipid mediator concentrations. Future studies PR:PROJECT_SUMMARY with stronger study designs and larger sample size are needed to confirm and PR:PROJECT_SUMMARY validate these preliminary results. PR:INSTITUTE Cal Poly St. Univ., San Luis Obispo PR:LAST_NAME La Frano PR:FIRST_NAME Michael PR:ADDRESS CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE, SAN LUIS OBISPO, CA, PR:ADDRESS 93407, USA PR:EMAIL mlafrano@calpoly.edu PR:PHONE 7143602022 #STUDY ST:STUDY_TITLE Multi-assay nutritional metabolomics profiling of low vitamin A status versus ST:STUDY_TITLE adequacy is characterized by reduced plasma lipid mediators among lactating ST:STUDY_TITLE women in the Philippines: A pilot study. ST:STUDY_TYPE Case-control ST:STUDY_SUMMARY Low vitamin A (VA) status is common among lactating women in low-income ST:STUDY_SUMMARY countries. Lactation has substantial effects on mother’s metabolism and VA is ST:STUDY_SUMMARY required in multiple biological processes, including growth, vision, immunity, ST:STUDY_SUMMARY and reproduction. The objective of this pilot study was to utilize metabolomics ST:STUDY_SUMMARY profiling to conduct a broad, exploratory assessment of differences in plasma ST:STUDY_SUMMARY metabolites associated with low VA status versus VA adequacy in lactating women. ST:STUDY_SUMMARY Plasma samples from lactating women who participated in a survey in Samar, ST:STUDY_SUMMARY Philippines, were selected from a cross-sectional study based on plasma retinol ST:STUDY_SUMMARY concentrations indicating low (VA-; n=5) or adequate (VA+; n=5) VA status ST:STUDY_SUMMARY (plasma retinol <0.8 or >1.05 µmol/L). The plasma results collected from six ST:STUDY_SUMMARY metabolomics assays (oxylipins, endocannabinoids, bile acids, primary ST:STUDY_SUMMARY metabolomics, biogenic amines, and lipidomics) were compared by group using ST:STUDY_SUMMARY liquid chromatography mass spectrometry. Twenty-eight metabolites were altered ST:STUDY_SUMMARY in the VA- versus VA+ status groups, with 24 being lipid mediators (p<0.05). ST:STUDY_SUMMARY These lipid mediators included lower concentrations of arachidonic acid- and ST:STUDY_SUMMARY eicosapentaenoic acid-derived oxylipins, as well as lysophospholipids and ST:STUDY_SUMMARY sphingolipids, in the VA- group (p<0.05). Chemical similarity enrichment ST:STUDY_SUMMARY analysis identified HETEs, HEPEs, and DiHETEs as significantly altered oxylipin ST:STUDY_SUMMARY clusters (p<0.0001, false discovery rate (FDR) p<0.0001), as well as ST:STUDY_SUMMARY sphingomyelins, saturated lysophosphatidylcholines, phosphatidylcholines, and ST:STUDY_SUMMARY phosphatidylethanolamines (p<0.001, FDR p<0.01). The multi-assay nutritional ST:STUDY_SUMMARY metabolomics profiling of low VA status compared with adequacy in lactating ST:STUDY_SUMMARY women was characterized by reduced lipid mediator concentrations. Future studies ST:STUDY_SUMMARY with stronger study designs and larger sample size are needed to confirm and ST:STUDY_SUMMARY validate these preliminary results. ST:INSTITUTE California Polytechnic State University, San Luis Obispo ST:DEPARTMENT Food Science and Nutrition ST:LABORATORY Cal Poly Metabolomics Service Center ST:LAST_NAME La Frano ST:FIRST_NAME Michael ST:ADDRESS Attn: Dr. Michael La Frano Bldg 11 Room 239 Cal Poly State University 1 Grand ST:ADDRESS Avenue San Luis Obispo, CA 93407 ST:EMAIL mlafrano@calpoly.edu ST:PHONE (805) 756 6233 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER 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 226 9 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP9; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP9; Metabolomics Sample ID=Haskell Plasma Metabolomics HP9; Species=Human SUBJECT_SAMPLE_FACTORS 390 2 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP2; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP2; Metabolomics Sample ID=Haskell Plasma Metabolomics HP2; Species=Human SUBJECT_SAMPLE_FACTORS 255 5 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP5; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP5; Metabolomics Sample ID=Haskell Plasma Metabolomics HP5; Species=Human SUBJECT_SAMPLE_FACTORS 391 7 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP7; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP7; Metabolomics Sample ID=Haskell Plasma Metabolomics HP7; Species=Human SUBJECT_SAMPLE_FACTORS 223 3 Case_Control:LOW Lipidomics Sample ID=Haskell Plasma Lipidomics HP3; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP3; Metabolomics Sample ID=Haskell Plasma Metabolomics HP3; Species=Human SUBJECT_SAMPLE_FACTORS 248 10 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP10; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP10; Metabolomics Sample ID=Haskell Plasma Metabolomics HP10; Species=Human SUBJECT_SAMPLE_FACTORS 326 6 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP6; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP6; Metabolomics Sample ID=Haskell Plasma Metabolomics HP6; Species=Human SUBJECT_SAMPLE_FACTORS 388 8 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP8; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP8; Metabolomics Sample ID=Haskell Plasma Metabolomics HP8; Species=Human SUBJECT_SAMPLE_FACTORS 271 1 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP1; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP1; Metabolomics Sample ID=Haskell Plasma Metabolomics HP1; Species=Human SUBJECT_SAMPLE_FACTORS 266 4 Case_Control:ADEQUATE Lipidomics Sample ID=Haskell Plasma Lipidomics HP4; Biogenic Amines Sample ID Identifier=Haskell Plasma Biogenic Amines HP4; Metabolomics Sample ID=Haskell Plasma Metabolomics HP4; Species=Human #COLLECTION CO:COLLECTION_SUMMARY Plasma samples analyzed in this study were collected from the antecubital vein CO:COLLECTION_SUMMARY in 7 mL Vacutainer® tubes containing K2-EDTA (Beckton Dickinson, Franklin CO:COLLECTION_SUMMARY Lakes, NJ, USA). CO:COLLECTION_PROTOCOL_FILENAME La_Frano_Treatment_Protocol_v1[23].pdf CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY The samples for this study were obtained from archived specimens from a TR:TREATMENT_SUMMARY cross-sectional survey that assessed the prevalence of VAD among a convenience TR:TREATMENT_SUMMARY sample of 207 lactating women in the province of Santa Margarita, Samar, TR:TREATMENT_SUMMARY Philippines. The original protocol was approved by the UC Davis IRB 290430-5 and TR:TREATMENT_SUMMARY the ethical committee of the local Ministry of Health in Eastern Visayas (Region TR:TREATMENT_SUMMARY VIII), Philippines. Excluded from the study were individuals who did not consent TR:TREATMENT_SUMMARY to further analysis of banked samples, had insufficient plasma remaining for TR:TREATMENT_SUMMARY metabolomics analysis, had samples that were not stored at the University of TR:TREATMENT_SUMMARY California, Davis, or had acute phase protein concentrations above normal range, TR:TREATMENT_SUMMARY including plasma C-reactive protein (CRP) > 5 mg/L or plasma α-1-acid TR:TREATMENT_SUMMARY glycoprotein (AGP) > 1.0 g/L (both measured by radial immunodiffusion). For the TR:TREATMENT_SUMMARY remaining samples eligible for metabolomics analysis, participants were divided TR:TREATMENT_SUMMARY into two groups with the lowest and highest concentrations based on their plasma TR:TREATMENT_SUMMARY VA concentrations. We selected 5 participants with plasma retinol ≤ 0.8 TR:TREATMENT_SUMMARY μmol/L and 5 participants with plasma retinol >1.05 μmol/L that were our low TR:TREATMENT_SUMMARY VA (VA-, < 0.8 μmol/L) or adequate VA (VA+, > 1.05 μmol/L) status groups, TR:TREATMENT_SUMMARY respectively. It must be noted that one participant in the VA- group had a TR:TREATMENT_SUMMARY plasma retinol concentration of 0.8 μmol/L, while the remaining four TR:TREATMENT_SUMMARY participants had plasma retinol ≤ 0.7 μmol/L, the cutoff for deficiency [8]. TR:TREATMENT_SUMMARY Casual breast milk retinol per gram of fat was also measured. Plasma samples TR:TREATMENT_SUMMARY analyzed in this study were collected from the antecubital vein in 7 mL TR:TREATMENT_SUMMARY Vacutainer® tubes containing K2-EDTA (Beckton Dickinson, Franklin Lakes, NJ, TR:TREATMENT_SUMMARY USA). Blood samples were shielded from light and placed in a cooler with ice TR:TREATMENT_SUMMARY packs prior to centrifugation to obtain plasma. Separated plasma samples were TR:TREATMENT_SUMMARY aliquoted into 2 ml cryovials and stored temporarily in a refrigerator until the TR:TREATMENT_SUMMARY end of data collection that day, and then frozen at -20⁰C for ~1-4 months, TR:TREATMENT_SUMMARY until transferred to Manila on dry ice, where they were stored first at -20 ºC TR:TREATMENT_SUMMARY and then later at -80ºC. Thereafter, samples were shipped on dry ice to the TR:TREATMENT_SUMMARY University of California, Davis and stored at -80ºC until analysis. TR:TREATMENT_PROTOCOL_FILENAME La_Frano_Treatment_Protocol_v1[23].pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolomics assays for primary metabolomics, biogenic amines, and lipidomics SP:SAMPLEPREP_SUMMARY were performed using protein precipitation extraction with UPLC-MS using SP:SAMPLEPREP_SUMMARY modified previously published methods [6]. Briefly, 25 µL of plasma were added SP:SAMPLEPREP_SUMMARY to 1.5 mL tubes before the addition of 10 µL of 1 µM internal standard SP:SAMPLEPREP_SUMMARY solution, followed by 750 µL chilled methanol. Samples were then vortexed 30 SP:SAMPLEPREP_SUMMARY seconds prior to being centrifuged at 15,000 x G for 10 min. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to 1.5 mL high performance liquid chromatography (HPLC) amber glass SP:SAMPLEPREP_SUMMARY vials, dried by centrifugal vacuum evaporation, and reconstituted in 100 µL 3:1 SP:SAMPLEPREP_SUMMARY acetonitrile: methanol solution with CUDA solution. The reconstituted solution SP:SAMPLEPREP_SUMMARY was vortexed 30 seconds and placed on ice for 10 minutes. The solution was then SP:SAMPLEPREP_SUMMARY centrifuged at 10,000 x G for 3 minutes after being transferred to microfilter SP:SAMPLEPREP_SUMMARY tubes. The supernatant was then transferred to a HPLC vial to be analyzed using SP:SAMPLEPREP_SUMMARY the UPLC-MS. SP:SAMPLEPREP_PROTOCOL_FILENAME La_Frano_Lab_Methods_Doc_VA_v9[2].pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 2mm,3um) CH:SOLVENT_A 100% water; 20 mM ammonium acetate; 20 mM ammonium hydroxide CH:SOLVENT_B 75% acetonitrile/25% methanol; 10 mM ammonium hydroxide CH:FLOW_GRADIENT 0-10 min: 90%, 10-11 min: 5%, 11-13 min: 5%, 13-15: 90%, CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 30 °C CH:METHODS_FILENAME La_Frano_Lab_Methods_Doc_VA_v9[2].pdf CH:SAMPLE_INJECTION 5µl CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Cal Poly Metabolomics Service Center AN:OPERATOR_NAME Rob Fanter AN:DETECTOR_TYPE Quadropule ion trap (QTrap) AN:SOFTWARE_VERSION Data acquisition:AB Sciex Analyst;Data processing: AB Sciex MultiQuant 3.0 AN:PROCESSING_PARAMETERS_FILE La_Frano_Lab_Methods_Doc_VA_v9[2].pdf AN:DATA_FORMAT .mzml #MS MS:INSTRUMENT_NAME ABI Sciex API 4000 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE API MS:ION_MODE NEGATIVE MS:MS_COMMENTS La_Frano_Lab_Methods_Doc_VA_v9[2].pdf #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples 9 2 5 7 3 10 6 8 1 4 Factors Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:LOW Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE Case_Control:ADEQUATE 2-aminoadipate 90503.68665 99001.31234 125223.9988 71762.74423 104158.8653 64960.89944 49192.19429 86937.21287 75428.99528 158581.8467 2-hydroxyglutarate 425079.8156 258021.3349 306811.1908 655927.2687 952740.6278 682730.9732 1030624.31 392729.5794 379439.2635 665534.8625 3-methyladipate_pimelate 139073.3108 120831.4298 113923.6704 126920.2816 127540.6997 212904.2728 84329.87643 118435.1542 97348.98473 200540.547 4-pyridoxate 70270.37468 84727.13918 108588.7653 83797.79791 134396.0278 208909.53 134361.0516 180551.1508 412210.6094 104332.7274 adenosine_monophosphate_(AMP) 63127.92055 20695.69353 28086.63661 39784.86682 34288.98595 20095.22194 75898.9242 26793.42214 23568.97677 32464.30116 alpha-hydroxybutyrate 238013.0183 383514.8955 190927.1561 490296.4963 332079.0746 336035.5722 677941.9414 485781.233 236112.9721 697148.7488 cytidine 16852.05689 14288.73323 10891.12485 8161.671559 11905.31385 18134.77115 979.3026478 15312.15591 5184.43464 14359.25741 dihydroxyacetone_phosphate_(DHAP) 10165.77384 4435.145614 5731.854268 4080.856888 7155.909747 5391.313592 15669.29973 6014.828301 3297.639282 4994.873233 fructose_glucose_galactose 45248219.4 45562470.97 46218155.17 45313970.55 50916968.08 49740820.84 45211883.7 45591747.17 45166289.44 53272806.81 fumarate_maleate 629216.9296 248835.0018 258153.7219 294338.0729 333847.9026 228973.2991 289765.3781 235545.3882 229991.9409 233780.2397 glycocholate 248776.9416 1811291.441 79100.8181 20913.96113 76049.6872 38721.59191 39663.61698 61789.14837 96623.36464 180442.6005 glycodeoxycholate_glycochenodeoxycholate 3900832.603 5089833.209 795100.0726 276506.0095 932916.0786 645031.4515 891152.6818 531534.8873 587745.2856 1141882.46 hexose_monophosphate_(F1P_F6P_G1P_G6P) 26215.05444 31041.32809 49295.95786 33667.11393 31906.58642 25977.7453 38657.93146 49790.66279 21680.49232 31841.82465 hippurate 159787.9827 264013.2768 590128.8131 235804.3698 99521.36003 103975.1499 180952.1017 252967.4922 112086.022 218261.599 hydroxyphenylacetate 50636.89982 37118.94953 93372.32888 81390.11462 45675.33226 46351.25046 53273.61772 74817.29592 138020.0778 62980.78493 indole-3-propionate 14993.07148 10347.71781 41269.36368 17853.5281 1361147.535 20122.48179 15180.01905 15310.43398 13669.72835 10614.43313 indoleacetate 78378.22868 27900.17986 211436.5513 103002.0957 58283.82504 80169.97266 53162.51311 49562.02724 102240.838 50329.99319 inosine 91749.8169 5913.487607 4585.756829 6119.903525 30237.36111 170079.8099 6365.025042 4921.604077 46188.26087 61806.35168 inositol 45473.0057 14263.55343 8594.337318 60190.63899 39049.91956 48524.72932 42107.81757 112638.9479 46163.73788 36200.08283 isocitrate 121523.472 86711.87521 121516.7836 392030.2747 57588.37329 179389.7145 75801.10214 394649.8963 117154.3466 141102.3116 kynurenine 62323.13109 43360.23001 26938.40858 89267.00139 55482.10563 59794.3854 59738.55683 45384.56245 45251.32446 49937.93335 lactate 4868777.264 3406594.145 3034749.32 4621741.588 5821333.292 3681800.723 4960766.798 4077491.796 2286388.896 4991220.126 lactose 631280.1679 931914.5541 1053781.462 946527.2406 818826.4637 794580.9538 1246763.851 787991.7606 735912.932 803039.1972 malate 32098.69443 20606.53841 45819.91103 18875.01965 26360.26761 22973.25623 19216.60552 34095.98983 25225.2666 55622.77563 methylmalonate 4311971.777 4929649.164 4019834.279 4496442.126 4166218.49 4941288.758 4441710.338 5197105.052 3984573.797 4950260.114 ribose-5-phosphate_ribulose-5-phosphate 16039.64913 23881.2864 9396.320026 9181.967854 14167.41388 14214.24769 14008.12441 20231.90141 24039.6751 14983.77029 sorbitol 1023534.686 618394.566 595564.4168 729707.1286 817204.6698 847980.3347 658585.2415 1021661.574 739232.7662 1090643.849 succinate 4981474.975 5447731.393 4548800.645 4973440.462 4842652.469 5403861.059 5348926.512 5165666.168 4520420.187 5491928.451 taurocholate 23766.64699 370510.7812 16525.38356 5100.085043 19008.07927 9346.789065 8795.741362 13123.10079 20266.74701 14981.80481 urate 30495.86981 25128.1065 26938.59521 28567.19822 31191.30821 24017.86229 36723.04115 48119.96872 53260.3049 31215.05477 uridine 1331580.157 1619542.021 642558.2373 1220258.089 2004599.627 1255550.14 1429722.647 977038.8946 1277874.989 1614529.176 xanthine 48889.62423 55185.61169 37060.54335 40149.34126 56694.37054 43603.54838 89090.72047 86664.54869 42480.81749 50657.42457 xanthurenate 27816.82056 20200.36181 29391.86838 23463.74112 27425.36556 40171.57811 23009.05788 32805.00975 26867.83001 34489.6361 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet Name Method Mode Pubchem CID KEGG Inchikey 2-aminoadipate alpha-Aminoadipic acid Primary Metabolomics Negative 6992111 OYIFNHCXNCRBQI-BYPYZUCNSA-M 2-hydroxyglutarate 2-Hydroxyglutaric acid Primary Metabolomics Negative 43 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N 3-methyladipate_pimelate 3-Methyladipic acid Primary Metabolomics Negative 6999745 SYEOWUNSTUDKGM-YFKPBYRVSA-N 4-pyridoxate 4-Pyridoxic acid Primary Metabolomics Negative 6723 C00847 HXACOUQIXZGNBF-UHFFFAOYSA-N adenosine_monophosphate_(AMP) AMP Primary Metabolomics Negative 6083 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N alpha-hydroxybutyrate 2-Hydroxybutyric acid Primary Metabolomics Negative 129763027 PTNBEIHSYWNXOE-UHFFFAOYSA-N cytidine Cytidine Primary Metabolomics Negative 6175 C00475 UHDGCWIWMRVCDJ-XVFCMESISA-N dihydroxyacetone_phosphate_(DHAP) Dihydroxyacetone phosphate Primary Metabolomics Negative 668 C00184 GNGACRATGGDKBX-UHFFFAOYSA-N fructose_glucose_galactose Fructose/Glucose/Galactose Primary Metabolomics Negative 2723872/5793/6036 LKDRXBCSQODPBY-VRPWFDPXSA-N/WQZGKKKJIJFFOK-GASJEMHNSA-N/WQZGKKKJIJFFOK-SVZMEOIVSA-N fumarate_maleate Fumaric acid/malic acid Primary Metabolomics Negative 5460307/5288227 VZCYOOQTPOCHFL-OWOJBTEDSA-L/VZCYOOQTPOCHFL-UPHRSURJSA-L glycocholate Glycocholic acid Primary Metabolomics Negative 10140 C01921 RFDAIACWWDREDC-FRVQLJSFSA-N glycodeoxycholate_glycochenodeoxycholate Glycodeoxycholic acid Primary Metabolomics Negative 3035026 WVULKSPCQVQLCU-BUXLTGKBSA-N hexose_monophosphate_(F1P_F6P_G1P_G6P) Primary Metabolomics Negative C00159 hippurate Hippuric acid Primary Metabolomics Negative 516953 C01586 ZBCAZEFVTIBZJS-UHFFFAOYSA-M hydroxyphenylacetate Primary Metabolomics Negative indole-3-propionate 3-Indolepropionic acid Primary Metabolomics Negative 134324 KRXFUVUEJRVANS-UHFFFAOYSA-M indoleacetate Indoleacetic acid Primary Metabolomics Negative 802 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N inosine Inosine Primary Metabolomics Negative 6021 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N inositol Myo-inositol Primary Metabolomics Negative 892 CDAISMWEOUEBRE-UHFFFAOYSA-N isocitrate Isocitric acid Primary Metabolomics Negative 5460172 C00311 ODBLHEXUDAPZAU-UHFFFAOYSA-K kynurenine Kynurenine Primary Metabolomics Negative 846 C01718 YGPSJZOEDVAXAB-UHFFFAOYSA-N lactate Lactic acid Primary Metabolomics Negative 91435 C01432 JVTAAEKCZFNVCJ-UHFFFAOYSA-M lactose Primary Metabolomics Negative 440995 C01970 malate Malic acid Primary Metabolomics Negative 160434 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-L methylmalonate Methylmalonic acid Primary Metabolomics Negative 487 C02170 ZIYVHBGGAOATLY-UHFFFAOYSA-N ribose-5-phosphate_ribulose-5-phosphate Ribulose 5-phosphate Primary Metabolomics Negative 439184 C00121 FNZLKVNUWIIPSJ-UHNVWZDZSA-N sorbitol Sorbitol Primary Metabolomics Negative 5780 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N succinate Succinic acid Primary Metabolomics Negative 160419 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-L taurocholate Taurocholic Primary Metabolomics Negative 6675 WBWWGRHZICKQGZ-HZAMXZRMSA-N urate Uric acid Primary Metabolomics Negative 1175 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N uridine Uridine Primary Metabolomics Negative 6029 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N xanthine Xanthine Primary Metabolomics Negative 1188 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N xanthurenate Xanthurenic acid Primary Metabolomics Negative 53481609 C02470 MYFHOUJDPFBJLH-XGJKELJWSA-N METABOLITES_END #END