#METABOLOMICS WORKBENCH rgn5011_20200106_091828 DATATRACK_ID:1887 STUDY_ID:ST001299 ANALYSIS_ID:AN002163 PROJECT_ID:PR000880 VERSION 1 CREATED_ON January 8, 2020, 9:31 am #PROJECT PR:PROJECT_TITLE Metatranscriptomic Analysis of the Mouse Gut Microbiome Response to the PR:PROJECT_TITLE Persistent Organic Pollutant 2,3,7,8-Tetrachlorodibenzofuran PR:PROJECT_SUMMARY Persistent organic pollutants (POPs) are important environmental chemicals and PR:PROJECT_SUMMARY continued study of their mechanism of action remains a high priority. POPs, such PR:PROJECT_SUMMARY as 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), 2,3,7,8-tetrachlorodibenzofuran PR:PROJECT_SUMMARY (TCDF), and polychlorinated biphenyls (PCBs), are widespread environmental PR:PROJECT_SUMMARY contaminants that are agonists for the aryl hydrocarbon receptor (AHR). PR:PROJECT_SUMMARY Activation of the AHR modulates the gut microbiome community structure and PR:PROJECT_SUMMARY function, host immunity, and the host metabolome. In the current study, male PR:PROJECT_SUMMARY C57BL6/J mice were exposed, via the diet, to 5 ug/kg body weight (BW) TCDF or 24 PR:PROJECT_SUMMARY ug/kg BW of TCDF every day for 5 days. The functional and structural changes PR:PROJECT_SUMMARY imparted by TCDF exposure to the gut microbiome and host metabolome were PR:PROJECT_SUMMARY explored via 16S rRNA gene amplicon sequencing, metabolomics, and bacterial PR:PROJECT_SUMMARY metatranscriptomics. Significant changes included increases in PR:PROJECT_SUMMARY lipopolysaccharide (LPS) biosynthesis gene expression after exposure to 24 ug/kg PR:PROJECT_SUMMARY BW of TCDF. Increases in LPS biosynthesis were confirmed with metabolomics and PR:PROJECT_SUMMARY LPS assays using serum obtained from TCDF-treated mice. Significant increases in PR:PROJECT_SUMMARY gene expression within aspartate and glutamate metabolism were noted after PR:PROJECT_SUMMARY exposure to 24 ug/kg BW of TCDF. Together, these results suggest that after PR:PROJECT_SUMMARY exposure to 24 ug/kg BW of TCDF, the gut microbiome increases the production of PR:PROJECT_SUMMARY LPS and glutamate to promote localized gut inflammation, potentially using PR:PROJECT_SUMMARY glutamate as a stress response. PR:INSTITUTE The Pennsylvania State University (Penn State) PR:LAST_NAME Nichols PR:FIRST_NAME Robert PR:ADDRESS 917 Old Boalsburg Road, State College, Pennsylvania, 16801, USA PR:EMAIL rgn5011@psu.edu PR:PHONE 7247662694 #STUDY ST:STUDY_TITLE Metatranscriptomic Analysis of the Mouse Gut Microbiome Response to the ST:STUDY_TITLE Persistent Organic Pollutant 2,3,7,8-Tetrachlorodibenzofuran ST:STUDY_SUMMARY Persistent organic pollutants (POPs) are important environmental chemicals and ST:STUDY_SUMMARY continued study of their mechanism of action remains a high priority. POPs, such ST:STUDY_SUMMARY as 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), 2,3,7,8-tetrachlorodibenzofuran ST:STUDY_SUMMARY (TCDF), and polychlorinated biphenyls (PCBs), are widespread environmental ST:STUDY_SUMMARY contaminants that are agonists for the aryl hydrocarbon receptor (AHR). ST:STUDY_SUMMARY Activation of the AHR modulates the gut microbiome community structure and ST:STUDY_SUMMARY function, host immunity, and the host metabolome. In the current study, male ST:STUDY_SUMMARY C57BL6/J mice were exposed, via the diet, to 5 ug/kg body weight (BW) TCDF or 24 ST:STUDY_SUMMARY ug/kg BW of TCDF every day for 5 days. The functional and structural changes ST:STUDY_SUMMARY imparted by TCDF exposure to the gut microbiome and host metabolome were ST:STUDY_SUMMARY explored via 16S rRNA gene amplicon sequencing, metabolomics, and bacterial ST:STUDY_SUMMARY metatranscriptomics. Significant changes included increases in ST:STUDY_SUMMARY lipopolysaccharide (LPS) biosynthesis gene expression after exposure to 24 ug/kg ST:STUDY_SUMMARY BW of TCDF. Increases in LPS biosynthesis were confirmed with metabolomics and ST:STUDY_SUMMARY LPS assays using serum obtained from TCDF-treated mice. Significant increases in ST:STUDY_SUMMARY gene expression within aspartate and glutamate metabolism were noted after ST:STUDY_SUMMARY exposure to 24 ug/kg BW of TCDF. Together, these results suggest that after ST:STUDY_SUMMARY exposure to 24 ug/kg BW of TCDF, the gut microbiome increases the production of ST:STUDY_SUMMARY LPS and glutamate to promote localized gut inflammation, potentially using ST:STUDY_SUMMARY glutamate as a stress response. ST:INSTITUTE The Pennsylvania State University (Penn State) ST:LAST_NAME Nichols ST:FIRST_NAME Robert ST:ADDRESS 917 Old Boalsburg Road, State College, Pennsylvania, 16801, USA ST:EMAIL rgn5011@psu.edu ST:PHONE 7247662694 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - C1 Treatment:Control RAW_FILE_NAME=BN181022_06.raw SUBJECT_SAMPLE_FACTORS - C2 Treatment:Control RAW_FILE_NAME=SH181022_19.raw SUBJECT_SAMPLE_FACTORS - C3 Treatment:Control RAW_FILE_NAME=SH181022_22.raw SUBJECT_SAMPLE_FACTORS - C4 Treatment:Control RAW_FILE_NAME=BN181022_11.raw SUBJECT_SAMPLE_FACTORS - C5 Treatment:Control RAW_FILE_NAME=SH181022_17.raw SUBJECT_SAMPLE_FACTORS - C6 Treatment:Control RAW_FILE_NAME=BN181022_13.raw SUBJECT_SAMPLE_FACTORS - L1 Treatment:Low Dose TCDF RAW_FILE_NAME=BN181022_04.raw SUBJECT_SAMPLE_FACTORS - L2 Treatment:Low Dose TCDF RAW_FILE_NAME=SH181022_20.raw SUBJECT_SAMPLE_FACTORS - L3 Treatment:Low Dose TCDF RAW_FILE_NAME=BN181022_12.raw SUBJECT_SAMPLE_FACTORS - L4 Treatment:Low Dose TCDF RAW_FILE_NAME=BN181022_09.raw SUBJECT_SAMPLE_FACTORS - L5 Treatment:Low Dose TCDF RAW_FILE_NAME=BN181022_10.raw SUBJECT_SAMPLE_FACTORS - L6 Treatment:Low Dose TCDF RAW_FILE_NAME=BN181022_16.raw SUBJECT_SAMPLE_FACTORS - H1 Treatment:High Dose TCDF RAW_FILE_NAME=SH181022_18.raw SUBJECT_SAMPLE_FACTORS - H2 Treatment:High Dose TCDF RAW_FILE_NAME=BN181022_15.raw SUBJECT_SAMPLE_FACTORS - H3 Treatment:High Dose TCDF RAW_FILE_NAME=BN181022_08.raw SUBJECT_SAMPLE_FACTORS - H4 Treatment:High Dose TCDF RAW_FILE_NAME=SH181022_21.raw SUBJECT_SAMPLE_FACTORS - H5 Treatment:High Dose TCDF RAW_FILE_NAME=BN181022_14.raw SUBJECT_SAMPLE_FACTORS - H6 Treatment:High Dose TCDF RAW_FILE_NAME=BN181022_07.raw #COLLECTION CO:COLLECTION_SUMMARY Cecal contents were extracted and then sub sampled for analysis. 100mgs of cecal CO:COLLECTION_SUMMARY contents were then used for extraction. CO:SAMPLE_TYPE Cecum #TREATMENT TR:TREATMENT_SUMMARY Mice were treated with either 5 ug/kg of TCDF or 24 ug/kg of TCDF or untreated TR:TREATMENT_SUMMARY dough pills #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See attached Sample prep doc (GC_Sample_Prep.doc) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Hydro-RP C18 column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS none #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ppm MS_METABOLITE_DATA_START Samples C1 C2 C3 C4 C5 C6 H1 H2 H3 H4 H5 H6 L1 L2 L3 L4 L5 L6 Factors Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:High Dose TCDF Treatment:High Dose TCDF Treatment:High Dose TCDF Treatment:High Dose TCDF Treatment:High Dose TCDF Treatment:High Dose TCDF Treatment:Low Dose TCDF Treatment:Low Dose TCDF Treatment:Low Dose TCDF Treatment:Low Dose TCDF Treatment:Low Dose TCDF Treatment:Low Dose TCDF 4-Hydroxyphenyllactate 0.0000068100 0.0000073300 0.0000043700 0.0000060100 0.0000040700 0.0000058000 0.0000046600 0.0000058400 0.0000029200 0.0000018900 0.0000024800 0.0000048100 0.0000044300 0.0000041900 0.0000018400 0.0000035300 0.0000029800 0.0000056600 UDP-N-acetyl-glucosamine 0.0000026700 0.0000008800 0.0000006250 0.0000009820 0.0000017500 0.0000007010 0.0000008150 0.0000008130 0.0000013900 0.0000001190 0.0000001170 0.0000006010 0.0000006170 0.0000000000 0.0000000000 0.0000006770 0.0000003650 0.0000005500 Glucono-_-lactone 0.0000579000 0.0000533000 0.0000431000 0.0000730000 0.0002212570 0.0001689300 0.0000467000 0.0001710160 0.0000384000 0.0000354000 0.0000343000 0.0000398000 0.0000454000 0.0000026300 0.0000248000 0.0000324000 0.0000379000 0.0000487000 Citrulline 0.0009286370 0.0012097250 0.0012581880 0.0018353100 0.0009409270 0.0015449470 0.0005303290 0.0024813780 0.0019573770 0.0014642840 0.0016070700 0.0015646010 0.0000361000 0.0000014100 0.0006322590 0.0016201650 0.0008539470 0.0009238740 Gluconate 0.0003179410 0.0001719790 0.0001010740 0.0001962260 0.0001104740 0.0002090260 0.0001648640 0.0002119500 0.0001192750 0.0000530000 0.0001195360 0.0000704000 0.0001549440 0.0000002030 0.0000769000 0.0001586890 0.0000812000 0.0001264260 UDP-D-glucose 0.0000034900 0.0000010300 0.0000006310 0.0000018100 0.0000025000 0.0000009080 0.0000016900 0.0000003970 0.0000016300 0.0000001570 0.0000002040 0.0000007840 0.0000011100 0.0000000000 0.0000000000 0.0000009280 0.0000012500 0.0000007740 Ascorbic acid 0.0000030000 0.0000027800 0.0000023100 0.0000033600 0.0000028600 0.0000033600 0.0000025300 0.0000054200 0.0000024300 0.0000022400 0.0000018900 0.0000025400 0.0000021600 0.0000001870 0.0000023900 0.0000025900 0.0000026600 0.0000024600 O-Acetyl-serine 0.0000068900 0.0000070900 0.0000028300 0.0000034800 0.0000030400 0.0000037100 0.0000021200 0.0000049600 0.0000035500 0.0000012400 0.0000044600 0.0000059200 0.0000015500 0.0000017200 0.0000023100 0.0000046000 0.0000017500 0.0000035600 IMP 0.0000141000 0.0000081800 0.0000058800 0.0000107000 0.0000055200 0.0000028500 0.0000082700 0.0000078900 0.0000032200 0.0000013200 0.0000009460 0.0000027900 0.0000070700 0.0000000000 0.0000014100 0.0000062200 0.0000024000 0.0000056000 Acetyllysine 0.0000283000 0.0000168000 0.0000130000 0.0000215000 0.0000279000 0.0000235000 0.0000184000 0.0000261000 0.0000189000 0.0000122000 0.0000148000 0.0000226000 0.0000158000 0.0000000346 0.0000110000 0.0000214000 0.0000119000 0.0000218000 Acetyl-aspartate 0.0032709010 0.0021182480 0.0025491880 0.0040708410 0.0022278260 0.0027918410 0.0037505350 0.0025008080 0.0029701820 0.0015494920 0.0021704620 0.0008555860 0.0022870400 0.0000034000 0.0018466110 0.0034570800 0.0017414960 0.0012336880 Fumarate 0.0000562000 0.0000476000 0.0001038580 0.0000642000 0.0001001460 0.0000514000 0.0001418220 0.0001238620 0.0002050890 0.0001519900 0.0000912000 0.0001375050 0.0001752330 0.0000036800 0.0002030560 0.0001383300 0.0001702890 0.0000939000 CDP 0.0000024000 0.0000022500 0.0000011000 0.0000023100 0.0000009080 0.0000012200 0.0000016500 0.0000012500 0.0000010100 0.0000001910 0.0000007680 0.0000008020 0.0000014500 0.0000000000 0.0000001640 0.0000013100 0.0000001750 0.0000020500 2-Isopropylmalic acid 0.0005540800 0.0003750630 0.0002704480 0.0002661820 0.0001621490 0.0001056870 0.0002407680 0.0003090050 0.0002012570 0.0000379000 0.0001776300 0.0001275890 0.0002198130 0.0000339000 0.0000429000 0.0001799560 0.0000552000 0.0003196760 Fructose-1,6-bisphosphate 0.0000070400 0.0000026900 0.0000004800 0.0000039400 0.0000005390 0.0000002580 0.0000033300 0.0000002430 0.0000011800 0.0000001580 0.0000008340 0.0000000000 0.0000014300 0.0000000000 0.0000000000 0.0000002460 0.0000000000 0.0000011100 6-Phospho-D-gluconate 0.0000082200 0.0000068500 0.0000005780 0.0000055800 0.0000003640 0.0000013800 0.0000026900 0.0000005720 0.0000002230 0.0000001180 0.0000004110 0.0000002320 0.0000031700 0.0000000000 0.0000000000 0.0000007610 0.0000001140 0.0000025700 Deoxyinosine 0.0000075200 0.0000025500 0.0000025000 0.0000002400 0.0000002440 0.0000002470 0.0000006360 0.0000003670 0.0000005850 0.0000000000 0.0000003910 0.0000011000 0.0000002470 0.0000000696 0.0000000000 0.0000001930 0.0000001190 0.0000003100 N-Acetyl-glucosamine-1/6-phosphate 0.0002214440 0.0003303560 0.0001722340 0.0003663310 0.0000891000 0.0003771740 0.0001910600 0.0000958000 0.0000080300 0.0000038600 0.0000612000 0.0000885000 0.0002509270 0.0000000000 0.0000045200 0.0001328890 0.0000069900 0.0003441870 2-Keto-D-gluconate 0.0009842840 0.0025332410 0.0010549450 0.0019760350 0.0002288000 0.0009669850 0.0005715970 0.0005261620 0.0010568230 0.0001724130 0.0006874980 0.0008248480 0.0015152510 0.0000007510 0.0004425290 0.0009730270 0.0002911460 0.0002950470 3-Phosphoglycerate 0.0001987120 0.0001604350 0.0000223000 0.0000965000 0.0000210000 0.0000408000 0.0001186290 0.0000231000 0.0000235000 0.0000096100 0.0000275000 0.0000187000 0.0000611000 0.0000016200 0.0000055600 0.0000424000 0.0000134000 0.0000743000 Phosphoenolpyruvate 0.0000214000 0.0000116000 0.0000027500 0.0000115000 0.0000028100 0.0000039800 0.0000136000 0.0000025400 0.0000021100 0.0000008830 0.0000024600 0.0000022000 0.0000060000 0.0000003960 0.0000001620 0.0000049100 0.0000022600 0.0000076900 Pyruvate 0.0000470000 0.0000327000 0.0000640000 0.0000450000 0.0001502720 0.0000844000 0.0000356000 0.0001221350 0.0000502000 0.0000782000 0.0000300000 0.0000518000 0.0000243000 0.0000182000 0.0000733000 0.0000298000 0.0000420000 0.0000430000 Ile-Asp-Ser (IDS) 0.0000052000 0.0000096600 0.0000060500 0.0000109000 0.0000044200 0.0000133000 0.0000048300 0.0000086500 0.0000055900 0.0000039900 0.0000063300 0.0000062500 0.0000067400 0.0000000000 0.0000034000 0.0000065800 0.0000077200 0.0000063800 Fructose-6-phosphate 0.0001305770 0.0001375610 0.0000165000 0.0000726000 0.0000108000 0.0000258000 0.0000398000 0.0000212000 0.0000095500 0.0000047600 0.0000111000 0.0000097100 0.0000423000 0.0000005850 0.0000037600 0.0000192000 0.0000052000 0.0000667000 3-Hydroxybutyric acid 0.0000045600 0.0000051200 0.0000036500 0.0000052900 0.0000044500 0.0000046100 0.0000056000 0.0000068300 0.0000064400 0.0000041600 0.0000049500 0.0000040200 0.0000056500 0.0000055200 0.0000038500 0.0000058900 0.0000048900 0.0000058000 Erythrose-4-phosphate 0.0000095000 0.0000138000 0.0000008020 0.0000075200 0.0000003150 0.0000017000 0.0000040900 0.0000008520 0.0000001970 0.0000001110 0.0000005440 0.0000003220 0.0000044900 0.0000002440 0.0000001370 0.0000005800 0.0000000759 0.0000052900 FMN 0.0002196230 0.0000421000 0.0000232000 0.0000439000 0.0000224000 0.0000389000 0.0000294000 0.0000254000 0.0000126000 0.0000087700 0.0000147000 0.0000171000 0.0000296000 0.0000000000 0.0000093400 0.0000324000 0.0000115000 0.0000213000 Hydroxyproline/Aminolevulinate 0.0000306000 0.0000311000 0.0000192000 0.0000372000 0.0000365000 0.0000436000 0.0000301000 0.0000087000 0.0000147000 0.0000146000 0.0000086800 0.0000168000 0.0000212000 0.0000004310 0.0000267000 0.0000405000 0.0000326000 0.0000172000 Adenosine 0.0000115000 0.0000114000 0.0000059200 0.0000094300 0.0000085600 0.0000063900 0.0000085100 0.0000151000 0.0000088100 0.0000061000 0.0000067400 0.0000127000 0.0000070500 0.0000000000 0.0000075100 0.0000090400 0.0000030300 0.0000101000 3-Phospho-serine 0.0000148000 0.0000072200 0.0000040400 0.0000118000 0.0000035700 0.0000033700 0.0000136000 0.0000055100 0.0000046400 0.0000020500 0.0000042200 0.0000023300 0.0000076900 0.0000000000 0.0000015200 0.0000080700 0.0000025000 0.0000040600 4-Pyridoxic acid 0.0012586220 0.0012816140 0.0007609260 0.0009646910 0.0008123910 0.0010294990 0.0010282230 0.0010105460 0.0010505000 0.0005324040 0.0005673880 0.0008067030 0.0007750410 0.0000094400 0.0006501270 0.0009130800 0.0008743090 0.0012371700 Quinolinate 0.0001312290 0.0000936000 0.0000826000 0.0001114020 0.0000876000 0.0001363810 0.0000972000 0.0000845000 0.0000890000 0.0000875000 0.0000721000 0.0000821000 0.0000718000 0.0000050100 0.0000724000 0.0001004220 0.0001073910 0.0001195070 Glucose-1/6-phosphate 0.0023376640 0.0034041400 0.0001703970 0.0017952160 0.0000657000 0.0003769520 0.0009828320 0.0001791060 0.0000495000 0.0000152000 0.0000806000 0.0000730000 0.0011796980 0.0000009610 0.0000109000 0.0001618120 0.0000210000 0.0014342550 Ribose-5-phosphate 0.0000646000 0.0001068520 0.0000158000 0.0000398000 0.0000301000 0.0000371000 0.0000460000 0.0000149000 0.0000126000 0.0000029200 0.0000065200 0.0000082700 0.0000523000 0.0000004000 0.0000028800 0.0000253000 0.0000198000 0.0000536000 Aconitate 0.0000262000 0.0000368000 0.0000172000 0.0000457000 0.0000133000 0.0000248000 0.0000299000 0.0000238000 0.0000172000 0.0000112000 0.0000168000 0.0000137000 0.0000254000 0.0000029200 0.0000108000 0.0000272000 0.0000147000 0.0000283000 4-Phosphopantothenate 0.0000022200 0.0000043100 0.0000003120 0.0000022700 0.0000007700 0.0000008640 0.0000016600 0.0000009970 0.0000003460 0.0000002020 0.0000003590 0.0000006170 0.0000027300 0.0000000000 0.0000003920 0.0000005910 0.0000005200 0.0000005260 Ribose 0.0004774500 0.0004088520 0.0003373510 0.0005026720 0.0004748720 0.0005681810 0.0004305560 0.0008303660 0.0004512010 0.0002266590 0.0003394390 0.0006054890 0.0003604550 0.0000014400 0.0002556970 0.0006047300 0.0003710270 0.0004410090 N-Acetyl-glutamine 0.0001672540 0.0001450090 0.0001245490 0.0002284880 0.0001804740 0.0002280960 0.0002034900 0.0001981350 0.0001982710 0.0002035690 0.0001415490 0.0000989000 0.0001362300 0.0000002200 0.0001643040 0.0001664330 0.0002127400 0.0001079930 Alpha-ketoglutarate 0.0000438000 0.0000287000 0.0000417000 0.0000505000 0.0001765120 0.0000709000 0.0000312000 0.0001230940 0.0000515000 0.0000719000 0.0000290000 0.0000413000 0.0000291000 0.0000093600 0.0000518000 0.0000401000 0.0000529000 0.0000368000 D-Sedoheptulose-1/7-phosphate 0.0009687900 0.0014800590 0.0000943000 0.0008192050 0.0000408000 0.0001893880 0.0004259220 0.0000709000 0.0000213000 0.0000125000 0.0000260000 0.0000377000 0.0007184730 0.0000013300 0.0000105000 0.0000832000 0.0000156000 0.0005670310 Folate 0.0000048600 0.0000021200 0.0000012700 0.0000046100 0.0000029600 0.0000073000 0.0000043800 0.0000030200 0.0000026100 0.0000007270 0.0000024400 0.0000022200 0.0000038300 0.0000000000 0.0000016400 0.0000042400 0.0000016700 0.0000028400 Indole-3-carboxylic acid 0.0000208000 0.0000141000 0.0000107000 0.0000174000 0.0000120000 0.0000146000 0.0000163000 0.0000155000 0.0000142000 0.0000090800 0.0000111000 0.0000124000 0.0000118000 0.0000003730 0.0000089800 0.0000165000 0.0000136000 0.0000155000 Succinate/Methylmalonic acid 0.0216558300 0.0159638800 0.0144160000 0.0279595300 0.0212607900 0.0223242200 0.0233542300 0.0203221300 0.0174548000 0.0166309700 0.0146922000 0.0132968000 0.0148829200 0.0003748750 0.0161858700 0.0215147800 0.0220682100 0.0182500200 Cytosine 0.0000032500 0.0000014600 0.0000020700 0.0000010400 0.0000017900 0.0000016300 0.0000011200 0.0000015400 0.0000019200 0.0000004200 0.0000010400 0.0000015800 0.0000017100 0.0000000478 0.0000012600 0.0000018000 0.0000016600 0.0000016000 Nicotinate 0.0095903890 0.0105385000 0.0075428360 0.0113047400 0.0089013710 0.0121048900 0.0101941100 0.0105515600 0.0088706650 0.0063262280 0.0070339500 0.0077370970 0.0099472880 0.0000105000 0.0071209530 0.0123392200 0.0083113580 0.0083874450 Dihydroxy-acetone-phosphate 0.0000692000 0.0000846000 0.0000181000 0.0000544000 0.0000147000 0.0000332000 0.0000397000 0.0000178000 0.0000099100 0.0000022900 0.0000099700 0.0000140000 0.0000621000 0.0000016100 0.0000010700 0.0000220000 0.0000058400 0.0000588000 Ribulose-5-phosphate 0.0001918500 0.0002046610 0.0000175000 0.0001234450 0.0000236000 0.0000368000 0.0000587000 0.0000205000 0.0000272000 0.0000051900 0.0000146000 0.0000121000 0.0001547060 0.0000000000 0.0000036700 0.0000303000 0.0000159000 0.0000783000 Glucose 0.0036629360 0.0050672900 0.0018088860 0.0031253830 0.0019925660 0.0030284580 0.0022387810 0.0043836560 0.0018724960 0.0005607980 0.0030224880 0.0043957860 0.0030664570 0.0000040000 0.0005373980 0.0018058360 0.0010039430 0.0054399880 UDP 0.0000044500 0.0000030600 0.0000013100 0.0000030500 0.0000017400 0.0000019900 0.0000046000 0.0000023300 0.0000017300 0.0000002850 0.0000013000 0.0000013600 0.0000019900 0.0000000000 0.0000002520 0.0000021500 0.0000012600 0.0000043500 N-Acetyl-L-ornithine 0.0000357000 0.0000272000 0.0001119630 0.0000375000 0.0000258000 0.0000289000 0.0000588000 0.0000354000 0.0000508000 0.0000294000 0.0001859430 0.0000332000 0.0001696800 0.0000001250 0.0000356000 0.0001869120 0.0000299000 0.0000860000 GDP 0.0000059000 0.0000032900 0.0000030700 0.0000054400 0.0000028000 0.0000040500 0.0000056900 0.0000026100 0.0000023100 0.0000006870 0.0000021400 0.0000021200 0.0000055600 0.0000002680 0.0000008280 0.0000044000 0.0000012700 0.0000047200 Leucine/Isoleucine 0.0018560900 0.0016830050 0.0035023350 0.0030012010 0.0042496510 0.0044215270 0.0027671090 0.0069650820 0.0077423360 0.0063617080 0.0042001370 0.0046957710 0.0055036720 0.0000089100 0.0061822200 0.0062541340 0.0063286340 0.0025572460 Ketoleucine 0.0000092700 0.0000141000 0.0000082800 0.0000138000 0.0000107000 0.0000093900 0.0000198000 0.0000103000 0.0000128000 0.0000088700 0.0000114000 0.0000084300 0.0000118000 0.0000569000 0.0000093900 0.0000137000 0.0000130000 0.0000111000 Pipecolic Acid 0.0000045700 0.0000051800 0.0000028100 0.0000036200 0.0001102870 0.0000036900 0.0000040400 0.0000993000 0.0001000080 0.0000746000 0.0000591000 0.0000020900 0.0000033100 0.0000005990 0.0000026600 0.0000035800 0.0000021000 0.0000036300 Pyridoxine 0.0000053000 0.0000033800 0.0000027800 0.0000028800 0.0000055200 0.0000028700 0.0000041500 0.0000055500 0.0000124000 0.0000025300 0.0000016900 0.0000037600 0.0000027400 0.0000007160 0.0000027200 0.0000049200 0.0000032500 0.0000035100 3-Methylphenylacetic acid 0.0000042800 0.0000083800 0.0000043900 0.0000081900 0.0000053800 0.0000095100 0.0000094600 0.0000072800 0.0000090000 0.0000057300 0.0000055500 0.0000071800 0.0000058600 0.0000360000 0.0000047300 0.0000079800 0.0000069600 0.0000099700 2-Aminooctanoic acid 0.0000483000 0.0000833000 0.0000395000 0.0000593000 0.0000374000 0.0000494000 0.0001019980 0.0000523000 0.0000754000 0.0000450000 0.0000624000 0.0000384000 0.0000573000 0.0005167370 0.0000507000 0.0000621000 0.0000628000 0.0000517000 Trehalose/Sucrose 0.0001240330 0.0002598100 0.0000370000 0.0001082920 0.0000397000 0.0001097310 0.0000696000 0.0001498210 0.0000418000 0.0000103000 0.0000802000 0.0001135030 0.0000733000 0.0000000332 0.0000151000 0.0000362000 0.0000262000 0.0002332900 Trehalose-6-Phosphate 0.0000040600 0.0000004810 0.0000004470 0.0000042100 0.0000004180 0.0000020300 0.0000053000 0.0000012200 0.0000001980 0.0000000336 0.0000003530 0.0000005170 0.0000022300 0.0000000000 0.0000000824 0.0000011000 0.0000002370 0.0000027000 Glutathione 0.0000050800 0.0000056000 0.0000021300 0.0000024700 0.0000013300 0.0000018000 0.0000087700 0.0000029000 0.0000049500 0.0000016900 0.0000017200 0.0000013500 0.0000063000 0.0000179000 0.0000028100 0.0000029700 0.0000025900 0.0000016600 CTP 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000765 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 dAMP 0.0001102760 0.0001333220 0.0000381000 0.0000170000 0.0000143000 0.0000337000 0.0001367930 0.0000220000 0.0000062000 0.0000053300 0.0000533000 0.0001362340 0.0004693880 0.0000000000 0.0000068600 0.0000413000 0.0000063400 0.0003449040 Inosine 0.0000331000 0.0000241000 0.0000183000 0.0000124000 0.0000222000 0.0000134000 0.0000252000 0.0000280000 0.0000176000 0.0000028800 0.0000065800 0.0000061400 0.0000125000 0.0000003570 0.0000041500 0.0000155000 0.0000077100 0.0000422000 3-S-Methylthiopropionate 0.0000001030 0.0000001140 0.0000008010 0.0000000000 0.0001853300 0.0000000000 0.0000013900 0.0000333000 0.0000002120 0.0000101000 0.0000000000 0.0000000000 0.0000000000 0.0000001660 0.0000067300 0.0000001130 0.0000000000 0.0000000000 Phenylpyruvate 0.0000013800 0.0000014100 0.0000011500 0.0000013900 0.0000051900 0.0000021000 0.0000014500 0.0000039600 0.0000014400 0.0000021000 0.0000010900 0.0000013000 0.0000012700 0.0000020200 0.0000019000 0.0000012300 0.0000013500 0.0000010800 Methionine 0.0000009190 0.0000000000 0.0000622000 0.0000042500 0.0022804230 0.0000250000 0.0000000000 0.0009884010 0.0000115000 0.0003224720 0.0000000729 0.0000037800 0.0000000000 0.0000001350 0.0001907710 0.0000000872 0.0000020900 0.0000001780 Glucarate 0.0000561000 0.0000759000 0.0000232000 0.0000463000 0.0000108000 0.0000234000 0.0000516000 0.0000331000 0.0000313000 0.0000158000 0.0000276000 0.0000200000 0.0000588000 0.0000015800 0.0000178000 0.0000306000 0.0000153000 0.0000395000 Chlorpropamide 0.0005113030 0.0005965460 0.0002439530 0.0004511010 0.0002162380 0.0003139360 0.0007800400 0.0002909400 0.0003888620 0.0002650320 0.0004361560 0.0002876240 0.0004466420 0.0000000000 0.0002203610 0.0004501750 0.0003320610 0.0003776860 UMP 0.0000636000 0.0000454000 0.0000435000 0.0000758000 0.0000578000 0.0000293000 0.0000722000 0.0000607000 0.0000382000 0.0000358000 0.0000156000 0.0000324000 0.0000413000 0.0000000000 0.0000403000 0.0000547000 0.0000479000 0.0000695000 2-Keto-isovalerate 0.0000090900 0.0000172000 0.0000079300 0.0000123000 0.0001475210 0.0000120000 0.0000170000 0.0000507000 0.0000113000 0.0000325000 0.0000102000 0.0000083000 0.0000102000 0.0000256000 0.0000105000 0.0000129000 0.0000139000 0.0000133000 Serine 0.0002851660 0.0002006570 0.0003509820 0.0004033600 0.0004246950 0.0003121550 0.0003854300 0.0005708480 0.0007495740 0.0005122550 0.0004091130 0.0003914800 0.0006252100 0.0000010100 0.0005012240 0.0006637530 0.0004752640 0.0002570190 Tryptophan 0.0006529540 0.0006151250 0.0010850520 0.0010523590 0.0012712970 0.0013736270 0.0007333220 0.0017665030 0.0022840790 0.0018493760 0.0011912050 0.0013260700 0.0015468260 0.0000017300 0.0017000770 0.0017365900 0.0018983440 0.0008124910 dCMP 0.0002351650 0.0001861330 0.0000843000 0.0000332000 0.0000427000 0.0000545000 0.0001711340 0.0000653000 0.0000160000 0.0000098400 0.0000848000 0.0002497660 0.0005980260 0.0000000962 0.0000196000 0.0000772000 0.0000138000 0.0004945450 Aspartate 0.0023561730 0.0020292140 0.0031946280 0.0029106790 0.0035807530 0.0046759600 0.0024722070 0.0043595330 0.0071108310 0.0051855070 0.0034924660 0.0032574390 0.0045121370 0.0000016300 0.0058655510 0.0051320500 0.0054819770 0.0025615230 Citrate/isocitrate 0.0000295000 0.0000448000 0.0000252000 0.0000438000 0.0000326000 0.0000359000 0.0000395000 0.0000588000 0.0000302000 0.0000263000 0.0000160000 0.0000269000 0.0000571000 0.0000201000 0.0000247000 0.0000409000 0.0000189000 0.0000160000 Orotate 0.0002945590 0.0006814740 0.0005018610 0.0012227420 0.0003416030 0.0012636530 0.0004072400 0.0010349260 0.0001815330 0.0001283340 0.0012743200 0.0017395950 0.0017960700 0.0000004930 0.0000696000 0.0005373590 0.0001532470 0.0003492500 Glycine 0.0001020250 0.0000863000 0.0001443540 0.0001665530 0.0001793530 0.0001862170 0.0001799970 0.0002062120 0.0002719200 0.0002497970 0.0001624450 0.0001692340 0.0002471730 0.0000009340 0.0002291200 0.0002607230 0.0002315560 0.0000939000 Aminoadipic acid 0.0000478000 0.0000393000 0.0000402000 0.0000406000 0.0000311000 0.0000409000 0.0000417000 0.0000457000 0.0000394000 0.0000389000 0.0000260000 0.0000349000 0.0000552000 0.0000003680 0.0000348000 0.0000411000 0.0000416000 0.0000337000 Hydroxyphenylacetic acid 0.0000054300 0.0000058800 0.0000044400 0.0000051600 0.0000055700 0.0000074400 0.0000048400 0.0000054200 0.0000050400 0.0000048100 0.0000031500 0.0000044000 0.0000040600 0.0000048600 0.0000051000 0.0000054700 0.0000064400 0.0000058100 Prephenate 0.0000162000 0.0000217000 0.0000086800 0.0000205000 0.0000078900 0.0000116000 0.0000180000 0.0000087400 0.0000095000 0.0000067400 0.0000047200 0.0000076100 0.0000102000 0.0000089500 0.0000086200 0.0000120000 0.0000112000 0.0000225000 GMP 0.0000130000 0.0000094000 0.0000096500 0.0000224000 0.0000111000 0.0000064500 0.0000103000 0.0000101000 0.0000084300 0.0000073400 0.0000028100 0.0000077800 0.0000118000 0.0000000000 0.0000076400 0.0000080600 0.0000066100 0.0000227000 Riboflavin 0.0000160000 0.0000029900 0.0000048700 0.0000048700 0.0000067600 0.0000051300 0.0000049200 0.0000059900 0.0000094900 0.0000068700 0.0000047900 0.0000051100 0.0000030800 0.0000000000 0.0000077000 0.0000104000 0.0000073000 0.0000022200 Asp-Leu/Ile-Ser (DLS) 0.0000056500 0.0000086100 0.0000069900 0.0000086400 0.0000052500 0.0000090600 0.0000058200 0.0000085900 0.0000118000 0.0000041000 0.0000108000 0.0000062300 0.0000092300 0.0000000000 0.0000053400 0.0000092900 0.0000059500 0.0000085600 Proline 0.0002974150 0.0002524390 0.0004936000 0.0004955570 0.0008970200 0.0006536190 0.0004455510 0.0007837050 0.0010194350 0.0010225070 0.0005867980 0.0006159850 0.0005823640 0.0000019300 0.0009945380 0.0009522740 0.0010595090 0.0002365540 5-Methoxytryptophan 0.0000067800 0.0000087100 0.0000048800 0.0000065300 0.0000055300 0.0000086700 0.0000072800 0.0000057000 0.0000079200 0.0000040500 0.0000054900 0.0000059600 0.0000078400 0.0000000000 0.0000040300 0.0000093200 0.0000064900 0.0000079600 N-Carbamoyl-L-aspartate 0.0002323500 0.0003949520 0.0005279990 0.0009728850 0.0003780450 0.0009504070 0.0004313790 0.0008987500 0.0005043500 0.0002474890 0.0008477870 0.0006511040 0.0011621830 0.0000003930 0.0001259640 0.0008702260 0.0002258470 0.0002680180 GTP 0.0000002100 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000787 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 AMP 0.0000727000 0.0000615000 0.0000150000 0.0000085000 0.0000059900 0.0000136000 0.0000484000 0.0000152000 0.0000036300 0.0000210000 0.0000132000 0.0000395000 0.0001545480 0.0000005840 0.0000031400 0.0000110000 0.0000032400 0.0001087640 N-Acetyl-glutamate 0.0000501000 0.0000454000 0.0000594000 0.0001049540 0.0001047520 0.0000932000 0.0000918000 0.0000747000 0.0000843000 0.0000600000 0.0001096330 0.0000417000 0.0000460000 0.0000010100 0.0000724000 0.0000834000 0.0001338240 0.0000486000 Dihydroorotate 0.0000094000 0.0000168000 0.0000067900 0.0000285000 0.0000058900 0.0000261000 0.0000191000 0.0000216000 0.0000095500 0.0000074700 0.0000649000 0.0000726000 0.0000968000 0.0000004220 0.0000093800 0.0000116000 0.0000134000 0.0000134000 dGDP 0.0000180000 0.0000159000 0.0000116000 0.0000240000 0.0000106000 0.0000113000 0.0000167000 0.0000112000 0.0000074400 0.0000024700 0.0000077100 0.0000103000 0.0000335000 0.0000017400 0.0000024800 0.0000137000 0.0000046400 0.0000174000 Acetyl-glycine 0.0002527700 0.0003981450 0.0002912540 0.0005369030 0.0002532370 0.0004875350 0.0006009300 0.0003734850 0.0005531980 0.0004219750 0.0003649130 0.0003805820 0.0004446900 0.0000038000 0.0005114070 0.0005015310 0.0000495000 0.0003834500 Anthranilate 0.0000035100 0.0000043800 0.0000036900 0.0000049200 0.0000032300 0.0000043000 0.0000040300 0.0000027500 0.0000032300 0.0000025100 0.0000030000 0.0000035500 0.0000031000 0.0000020700 0.0000033100 0.0000043200 0.0000038700 0.0000057300 dTMP 0.0008402220 0.0007176140 0.0001962940 0.0000599000 0.0000594000 0.0000729000 0.0005878200 0.0001528610 0.0000437000 0.0000285000 0.0001812190 0.0003608740 0.0021590840 0.0000000000 0.0000445000 0.0001644430 0.0000341000 0.0006092130 Ser-Leu/Ile-Asp (SID) 0.0000079700 0.0000107000 0.0000077700 0.0000106000 0.0000105000 0.0000173000 0.0000077300 0.0000132000 0.0000142000 0.0000066500 0.0000170000 0.0000113000 0.0000097500 0.0000002060 0.0000078000 0.0000128000 0.0000123000 0.0000152000 sn-Glycerol-3-phosphate 0.0011041190 0.0009925420 0.0003857780 0.0008760760 0.0002063490 0.0006345280 0.0007808010 0.0003249570 0.0001696430 0.0001081690 0.0002390630 0.0005567690 0.0019039090 0.0000004060 0.0000831000 0.0003932870 0.0001265450 0.0008436530 Malate 0.0044681830 0.0053668170 0.0067120400 0.0052824720 0.0052453820 0.0034819480 0.0073561170 0.0067769180 0.0065968560 0.0046492900 0.0046420890 0.0068783560 0.0095042200 0.0000398000 0.0051877510 0.0074387480 0.0056738060 0.0060799980 Deoxyribose-phosphate 0.0003654230 0.0002003400 0.0000367000 0.0000521000 0.0000163000 0.0000539000 0.0000977000 0.0001070970 0.0000116000 0.0000073700 0.0000598000 0.0001737250 0.0006719390 0.0000003720 0.0000042100 0.0000511000 0.0000075200 0.0002920290 p-Aminobenzoate 0.0000025800 0.0000025700 0.0000017600 0.0000038900 0.0000030300 0.0000043300 0.0000049100 0.0000035400 0.0000026300 0.0000015500 0.0000023700 0.0000029500 0.0000047700 0.0000008530 0.0000020100 0.0000037700 0.0000020200 0.0000030800 ATP 0.0000009130 0.0000004800 0.0000000772 0.0000001150 0.0000000782 0.0000000000 0.0000005790 0.0000001650 0.0000001970 0.0000000000 0.0000000000 0.0000000826 0.0000005590 0.0000003560 0.0000001170 0.0000001500 0.0000000929 0.0000000000 Alanine/Sacrosine 0.0002801720 0.0003094420 0.0003955630 0.0004792660 0.0005162380 0.0005933220 0.0004980550 0.0006011030 0.0006415170 0.0006887270 0.0004412390 0.0005129880 0.0005956890 0.0000033100 0.0005554830 0.0006606470 0.0006451240 0.0003716340 Phenyllactic acid 0.0001283510 0.0004267280 0.0002640250 0.0003599140 0.0003816480 0.0004326810 0.0004717040 0.0001078310 0.0008012250 0.0001234200 0.0002703400 0.0004222970 0.0002914660 0.0000057600 0.0003330410 0.0003610340 0.0005577070 0.0006712370 Oxaloacetate 0.0000043800 0.0000053800 0.0000017300 0.0000046800 0.0000015200 0.0000031500 0.0000059300 0.0000023900 0.0000032200 0.0000020400 0.0000028600 0.0000023600 0.0000034100 0.0000002120 0.0000023800 0.0000047100 0.0000035900 0.0000045800 CMP 0.0000174000 0.0000178000 0.0000195000 0.0000411000 0.0000204000 0.0000133000 0.0000229000 0.0000220000 0.0000143000 0.0000240000 0.0000144000 0.0000184000 0.0000266000 0.0000000000 0.0000189000 0.0000184000 0.0000147000 0.0000378000 4-Aminobutyrate 0.0001607420 0.0001386480 0.0001914040 0.0002511820 0.0002772330 0.0003047180 0.0002070780 0.0003057310 0.0003056690 0.0002695540 0.0002128300 0.0002096090 0.0002590440 0.0000016600 0.0002433390 0.0003296760 0.0002599280 0.0001177860 Acetoacetate 0.0000168000 0.0000248000 0.0000135000 0.0000192000 0.0000136000 0.0000277000 0.0000226000 0.0000184000 0.0000186000 0.0000116000 0.0000132000 0.0000173000 0.0000188000 0.0000303000 0.0000124000 0.0000187000 0.0000195000 0.0000223000 Cystathionine 0.0000247000 0.0000243000 0.0000176000 0.0000192000 0.0000159000 0.0000283000 0.0000148000 0.0000307000 0.0000246000 0.0000127000 0.0000392000 0.0000522000 0.0000351000 0.0000000000 0.0000131000 0.0000323000 0.0000152000 0.0000237000 Asp-Leu-His (DLH) 0.0000016300 0.0000065100 0.0000060100 0.0000049200 0.0000010500 0.0000063500 0.0000013200 0.0000086500 0.0000066300 0.0000029800 0.0000072400 0.0000061500 0.0000074900 0.0000000000 0.0000032800 0.0000056500 0.0000031400 0.0000043100 Guanine 0.0000076800 0.0000046200 0.0000037800 0.0000040300 0.0000058800 0.0000058400 0.0000070800 0.0000061600 0.0000071100 0.0000030700 0.0000039100 0.0000035700 0.0000031500 0.0000000000 0.0000068400 0.0000072600 0.0000068100 0.0000054400 Leu-Asp (LD) 0.0000104000 0.0000107000 0.0000075600 0.0000114000 0.0000109000 0.0000195000 0.0000090400 0.0000105000 0.0000106000 0.0000067400 0.0000102000 0.0000145000 0.0000118000 0.0000001750 0.0000097400 0.0000169000 0.0000122000 0.0000148000 Glutamate 0.0223528700 0.0211275400 0.0254138100 0.0362615400 0.0352014000 0.0399129300 0.0295929100 0.0390480400 0.0408018600 0.0343427600 0.0291293500 0.0287110900 0.0357615400 0.0000222000 0.0320032700 0.0441741800 0.0372888700 0.0188427700 Histidine 0.0000292000 0.0000235000 0.0000348000 0.0000284000 0.0000544000 0.0000568000 0.0000216000 0.0000618000 0.0000640000 0.0000436000 0.0000333000 0.0000354000 0.0000602000 0.0000001370 0.0000414000 0.0000582000 0.0000582000 0.0000264000 Lactate 0.0035974550 0.0030657610 0.0070668880 0.0024624780 0.0064243520 0.0027823710 0.0021562980 0.0045862030 0.0046648880 0.0040041100 0.0019643140 0.0051469390 0.0082626010 0.0001088670 0.0022767600 0.0044475830 0.0034790380 0.0049084970 Taurine 0.0011535170 0.0048474670 0.0047377860 0.0044852170 0.0045490050 0.0088918430 0.0026989210 0.0061640760 0.0051287680 0.0030451630 0.0020080340 0.0055417940 0.0058830430 0.0000019800 0.0045012560 0.0034890110 0.0075813700 0.0053892180 Maleic acid 0.0008232870 0.0010355250 0.0000106000 0.0000173000 0.0000077500 0.0000168000 0.0000106000 0.0000146000 0.0000103000 0.0009142350 0.0000144000 0.0000130000 0.0000190000 0.0000052000 0.0009903720 0.0000169000 0.0000072500 0.0012302040 Ser-Asp (SD) 0.0001153470 0.0001341900 0.0001075670 0.0001312180 0.0001239570 0.0001641350 0.0001340260 0.0001241160 0.0001041700 0.0001031410 0.0001246880 0.0001984700 0.0002171660 0.0000000000 0.0001268170 0.0001886920 0.0001205400 0.0001560840 Pro-Glu (PE) 0.0000080600 0.0000071300 0.0000082800 0.0000083600 0.0000135000 0.0000139000 0.0000088200 0.0000121000 0.0000142000 0.0000188000 0.0000056100 0.0000081800 0.0000100000 0.0000000861 0.0000126000 0.0000127000 0.0000170000 0.0000095100 Pyridoxamine 0.0000016100 0.0000025300 0.0000021200 0.0000026100 0.0000020200 0.0000038200 0.0000024400 0.0000017300 0.0000020900 0.0000023600 0.0000008730 0.0000022300 0.0000017300 0.0000006950 0.0000030500 0.0000023100 0.0000029200 0.0000035100 Thiamine 0.0000074900 0.0000030900 0.0000070000 0.0000076000 0.0000080400 0.0000072100 0.0000062100 0.0000132000 0.0000072100 0.0000061400 0.0000070700 0.0000099500 0.0000111000 0.0000000000 0.0000083000 0.0000094900 0.0000108000 0.0000018200 Asparagine 0.0000255000 0.0000224000 0.0000213000 0.0000329000 0.0000244000 0.0000297000 0.0000233000 0.0000370000 0.0001560040 0.0000447000 0.0000623000 0.0000275000 0.0000371000 0.0000001020 0.0000341000 0.0000349000 0.0000283000 0.0000190000 Glutamine 0.0006931670 0.0005804370 0.0004927680 0.0006443560 0.0005800190 0.0006120090 0.0003556520 0.0006183000 0.0006785610 0.0003493050 0.0007115840 0.0008177280 0.0009376510 0.0000006630 0.0005310730 0.0008929170 0.0005013880 0.0006763170 Lysine 0.0000595000 0.0000608000 0.0000932000 0.0001055640 0.0001085900 0.0001410380 0.0000829000 0.0001742530 0.0001446120 0.0000993000 0.0000937000 0.0001136780 0.0001516640 0.0000033300 0.0001076610 0.0001408780 0.0001210960 0.0000540000 Hydroxyisocaproic acid 0.0000104000 0.0002304310 0.0001380190 0.0001322170 0.0004592080 0.0002539500 0.0000284000 0.0000600000 0.0001748100 0.0000994000 0.0001354780 0.0003472940 0.0001107030 0.0000170000 0.0001373450 0.0001579680 0.0002019020 0.0005635620 Threonine/Homoserine 0.0005368980 0.0004691940 0.0005000920 0.0006525610 0.0007578980 0.0007203440 0.0005009690 0.0010271010 0.0009638690 0.0007879170 0.0007457050 0.0008038520 0.0008044370 0.0000011700 0.0006543680 0.0009367970 0.0006331180 0.0005676310 Citraconic acid 0.0000147000 0.0000099000 0.0000064200 0.0000111000 0.0000069800 0.0000070100 0.0000252000 0.0000066900 0.0000099800 0.0000044700 0.0000072800 0.0000051300 0.0000102000 0.0000137000 0.0000074400 0.0000104000 0.0000066100 0.0000082300 2,3-Dihydroxybenzoic acid 0.0000059200 0.0000086500 0.0000053500 0.0000053400 0.0000090900 0.0000098200 0.0000082100 0.0000085900 0.0000064600 0.0000050900 0.0000051500 0.0000052100 0.0000064300 0.0000018800 0.0000057900 0.0000087900 0.0000094400 0.0000114000 Ornithine 0.0000067900 0.0000094300 0.0000069700 0.0003702930 0.0000086800 0.0000109000 0.0000105000 0.0004376490 0.0003892820 0.0003438010 0.0000030400 0.0000103000 0.0000139000 0.0000005400 0.0001669030 0.0000125000 0.0002073130 0.0000065700 Pantothenate 0.0043561310 0.0026310740 0.0042234170 0.0053049210 0.0095576350 0.0086074750 0.0054113780 0.0090489260 0.0078290640 0.0085915080 0.0094521630 0.0082578560 0.0037921390 0.0000147000 0.0081796060 0.0078683820 0.0112727800 0.0037003140 Pyroglutamic acid 0.0024492790 0.0032634060 0.0030679320 0.0042915790 0.0029466600 0.0049354180 0.0041721760 0.0045490410 0.0047935630 0.0045567600 0.0037195930 0.0033851690 0.0038827620 0.0000072100 0.0032963440 0.0042695720 0.0054410780 0.0040371320 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 4-Hydroxyphenyllactate UDP-N-acetyl-glucosamine Glucono-_-lactone Citrulline Gluconate UDP-D-glucose Ascorbic acid O-Acetyl-serine IMP Acetyllysine Acetyl-aspartate Fumarate CDP 2-Isopropylmalic acid Fructose-1,6-bisphosphate 6-Phospho-D-gluconate Deoxyinosine N-Acetyl-glucosamine-1/6-phosphate 2-Keto-D-gluconate 3-Phosphoglycerate Phosphoenolpyruvate Pyruvate Ile-Asp-Ser (IDS) Fructose-6-phosphate 3-Hydroxybutyric acid Erythrose-4-phosphate FMN Hydroxyproline/Aminolevulinate Adenosine 3-Phospho-serine 4-Pyridoxic acid Quinolinate Glucose-1/6-phosphate Ribose-5-phosphate Aconitate 4-Phosphopantothenate Ribose N-Acetyl-glutamine Alpha-ketoglutarate D-Sedoheptulose-1/7-phosphate Folate Indole-3-carboxylic acid Succinate/Methylmalonic acid Cytosine Nicotinate Dihydroxy-acetone-phosphate Ribulose-5-phosphate Glucose UDP N-Acetyl-L-ornithine GDP Leucine/Isoleucine Ketoleucine Pipecolic Acid Pyridoxine 3-Methylphenylacetic acid 2-Aminooctanoic acid Trehalose/Sucrose Trehalose-6-Phosphate Glutathione CTP dAMP Inosine 3-S-Methylthiopropionate Phenylpyruvate Methionine Glucarate Chlorpropamide UMP 2-Keto-isovalerate Serine Tryptophan dCMP Aspartate Citrate/isocitrate Orotate Glycine Aminoadipic acid Hydroxyphenylacetic acid Prephenate GMP Riboflavin Asp-Leu/Ile-Ser (DLS) Proline 5-Methoxytryptophan N-Carbamoyl-L-aspartate GTP AMP N-Acetyl-glutamate Dihydroorotate dGDP Acetyl-glycine Anthranilate dTMP Ser-Leu/Ile-Asp (SID) sn-Glycerol-3-phosphate Malate Deoxyribose-phosphate p-Aminobenzoate ATP Alanine/Sacrosine Phenyllactic acid Oxaloacetate CMP 4-Aminobutyrate Acetoacetate Cystathionine Asp-Leu-His (DLH) Guanine Leu-Asp (LD) Glutamate Histidine Lactate Taurine Maleic acid Ser-Asp (SD) Pro-Glu (PE) Pyridoxamine Thiamine Asparagine Glutamine Lysine Hydroxyisocaproic acid Threonine/Homoserine Citraconic acid 2,3-Dihydroxybenzoic acid Ornithine Pantothenate Pyroglutamic acid METABOLITES_END #END