#METABOLOMICS WORKBENCH grangel0955_20241204_091316 DATATRACK_ID:5425 STUDY_ID:ST003642 ANALYSIS_ID:AN005981 PROJECT_ID:PR002252 VERSION 1 CREATED_ON December 9, 2024, 11:20 am #PROJECT PR:PROJECT_TITLE Hexosamine Biosynthesis Disruption Impairs GPI Production and Arrests Plasmodium PR:PROJECT_TITLE falciparum Growth at Schizont Stages PR:PROJECT_SUMMARY UDP-N-acetylglucosamine (UDP-GlcNAc) is a crucial sugar nucleotide for glycan PR:PROJECT_SUMMARY synthesis in eukaryotes. In Plasmodium falciparum, UDP-GlcNAc is synthesized via PR:PROJECT_SUMMARY the hexosamine biosynthetic pathway (HBP) and is essential for PR:PROJECT_SUMMARY glycosylphosphatidylinositol (GPI) anchor production, the most prominent form of PR:PROJECT_SUMMARY protein glycosylation in this parasite. In this study, we explore a conditional PR:PROJECT_SUMMARY knockout of glucosamine-6-phosphate N-acetyltransferase (PfGNA1), a key HBP PR:PROJECT_SUMMARY enzyme. PfGNA1 depletion led to significant disruptions in HBP metabolites, PR:PROJECT_SUMMARY impairing GPI biosynthesis and causing mislocalization of the merozoite surface PR:PROJECT_SUMMARY protein 1 (MSP1), the most abundant GPI-anchored protein in the parasite. As a PR:PROJECT_SUMMARY result, parasites were arrested at the schizont stage, exhibiting severe PR:PROJECT_SUMMARY segmentation defects and an incomplete rupture of the parasitophorous vacuole PR:PROJECT_SUMMARY membrane (PVM), preventing egress from host red blood cells. Our findings PR:PROJECT_SUMMARY demonstrate the critical role of HBP and GPI biosynthesis in P. falciparum PR:PROJECT_SUMMARY asexual development and underscore the potential of targeting these pathways as PR:PROJECT_SUMMARY a therapeutic strategy against malaria. PR:INSTITUTE Pennsylvania State University PR:DEPARTMENT Biochemistry and Molecular Biology PR:LABORATORY Manuel Llinás PR:LAST_NAME Rangel PR:FIRST_NAME Gabriel PR:ADDRESS 491 Pollock Road, University Park, PA, 16802, USA PR:EMAIL grangel0955@gmail.com PR:PHONE 8148673527 #STUDY ST:STUDY_TITLE Hexosamine Biosynthesis Disruption Impairs GPI Production and Arrests Plasmodium ST:STUDY_TITLE falciparum Growth at Schizont Stages ST:STUDY_SUMMARY UDP-N-acetylglucosamine (UDP-GlcNAc) is a crucial sugar nucleotide for glycan ST:STUDY_SUMMARY synthesis in eukaryotes. In Plasmodium falciparum, UDP-GlcNAc is synthesized via ST:STUDY_SUMMARY the hexosamine biosynthetic pathway (HBP) and is essential for ST:STUDY_SUMMARY glycosylphosphatidylinositol (GPI) anchor production, the most prominent form of ST:STUDY_SUMMARY protein glycosylation in this parasite. In this study, we explore a conditional ST:STUDY_SUMMARY knockout of glucosamine-6-phosphate N-acetyltransferase (PfGNA1), a key HBP ST:STUDY_SUMMARY enzyme. PfGNA1 depletion led to significant disruptions in HBP metabolites, ST:STUDY_SUMMARY impairing GPI biosynthesis and causing mislocalization of the merozoite surface ST:STUDY_SUMMARY protein 1 (MSP1), the most abundant GPI-anchored protein in the parasite. As a ST:STUDY_SUMMARY result, parasites were arrested at the schizont stage, exhibiting severe ST:STUDY_SUMMARY segmentation defects and an incomplete rupture of the parasitophorous vacuole ST:STUDY_SUMMARY membrane (PVM), preventing egress from host red blood cells. Our findings ST:STUDY_SUMMARY demonstrate the critical role of HBP and GPI biosynthesis in P. falciparum ST:STUDY_SUMMARY asexual development and underscore the potential of targeting these pathways as ST:STUDY_SUMMARY a therapeutic strategy against malaria. ST:INSTITUTE Pennsylvania State University ST:LAST_NAME Rangel ST:FIRST_NAME Gabriel ST:ADDRESS 491 Pollock Road, University Park, PA, 16802, USA ST:EMAIL grangel0955@gmail.com ST:PHONE 8148673527 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium falciparum SU:TAXONOMY_ID 5833 #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 - Rapa-4 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin RAW_FILE_NAME(Raw file name)=Rapa-4.mzML SUBJECT_SAMPLE_FACTORS - Rapa-3 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin RAW_FILE_NAME(Raw file name)=Rapa-3.mzML SUBJECT_SAMPLE_FACTORS - Rapa-2 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin RAW_FILE_NAME(Raw file name)=Rapa-2.mzML SUBJECT_SAMPLE_FACTORS - Rapa-1 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin RAW_FILE_NAME(Raw file name)=Rapa-1.mzML SUBJECT_SAMPLE_FACTORS - Parental-4 Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=Parental-4.mzML SUBJECT_SAMPLE_FACTORS - Parental-3 Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=Parental-3.mzML SUBJECT_SAMPLE_FACTORS - Parental-2 Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=Parental-2.mzML SUBJECT_SAMPLE_FACTORS - Parental-1 Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=Parental-1.mzML SUBJECT_SAMPLE_FACTORS - Izq-QC-4 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-QC-4.mzML SUBJECT_SAMPLE_FACTORS - Izq-QC-3 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-QC-3.mzML SUBJECT_SAMPLE_FACTORS - Izq-QC-2 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-QC-2.mzML SUBJECT_SAMPLE_FACTORS - Izq-QC-1 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-QC-1.mzML SUBJECT_SAMPLE_FACTORS - Izq-Blank-4 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-Blank-4.mzML SUBJECT_SAMPLE_FACTORS - Izq-Blank-3 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-Blank-3.mzML SUBJECT_SAMPLE_FACTORS - Izq-Blank-2 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-Blank-2.mzML SUBJECT_SAMPLE_FACTORS - Izq-Blank-1 Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA RAW_FILE_NAME(Raw file name)=Izq-Blank-1.mzML SUBJECT_SAMPLE_FACTORS - DMSO-4 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO RAW_FILE_NAME(Raw file name)=DMSO-4.mzML SUBJECT_SAMPLE_FACTORS - DMSO-3 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO RAW_FILE_NAME(Raw file name)=DMSO-3.mzML SUBJECT_SAMPLE_FACTORS - DMSO-2 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO RAW_FILE_NAME(Raw file name)=DMSO-2.mzML SUBJECT_SAMPLE_FACTORS - DMSO-1 Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO RAW_FILE_NAME(Raw file name)=DMSO-1.mzML #COLLECTION CO:COLLECTION_SUMMARY Each sample represents metabolites extracted from 1E8 Plasmodium falciparum CO:COLLECTION_SUMMARY infected human red blood cells (iRBCs). After treatment, the iRBCs were washed CO:COLLECTION_SUMMARY with cold PBS and metabolites were extracted using a 90% methanol solution. This CO:COLLECTION_SUMMARY solution was evaporated under nitrogen gas flow, resuspended in water plus CO:COLLECTION_SUMMARY chlorpropamide as an internal control, and run on the ThermoFisher Exactive CO:COLLECTION_SUMMARY Plus. CO:SAMPLE_TYPE Plasmodium cells #TREATMENT TR:TREATMENT_SUMMARY The II3 gna1-loxP line was tightly synchronized over a 5-hour window, using TR:TREATMENT_SUMMARY sequential 70% Percoll centrifugation followed by sorbitol lysis, and TR:TREATMENT_SUMMARY immediately treated with 10 nM rapamycin or DMSO (control) for one hour. TR:TREATMENT_SUMMARY Rapamycin or DMSO were then removed from the culture medium and the parasites TR:TREATMENT_SUMMARY were incubated until 57 hours post-Percoll when a new sorbitol synchronization TR:TREATMENT_SUMMARY was performed at the beginning of cycle 1. The samples were then incubated for TR:TREATMENT_SUMMARY about 81-89 hours post-Percoll and then enriched by MACS. For High Performance TR:TREATMENT_SUMMARY Liquid Chromatography-Mass Spectrometry (HPLC-MS) analysis, 1x108 parasites per TR:TREATMENT_SUMMARY replicate were replated in a 6-well plate and incubated for 2.5 hours to allow TR:TREATMENT_SUMMARY recovery. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY At the time of sample collection, after recovery from purification, the parasite SP:SAMPLEPREP_SUMMARY metabolism was quenched through addition of ice-cold PBS. Parasites were SP:SAMPLEPREP_SUMMARY pelleted (500 g, 4°C, 7 min) and metabolites were extracted from the pellet SP:SAMPLEPREP_SUMMARY with 1 ml ice cold 90% methanol, vortexed 30 seconds, and centrifuged for 10 min SP:SAMPLEPREP_SUMMARY at maximum speed (16000 x g) at 4°C. Samples were treated identically and SP:SAMPLEPREP_SUMMARY swiftly to ensure reproducible results. The methanol supernatants were stored at SP:SAMPLEPREP_SUMMARY -80°C until analysis, when they were transferred to fresh 1.5 mL tubes, dried SP:SAMPLEPREP_SUMMARY down completely under nitrogen gas flow, and the metabolite residues stored at SP:SAMPLEPREP_SUMMARY -70°C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XSelect HSS T3 Column XP (100 x 2.1 mm, 2.5 um) CH:SOLVENT_A 97% water/3% methanol; 15 mM acetic acid; 10 mM tributylamine; 2.5 µM medronic CH:SOLVENT_A acid CH:SOLVENT_B 100% Methanol CH:FLOW_GRADIENT 0-5.0 min: 100% A, 0% B; 5.0-13.0 min: 80% A, 20% B; 13.0-15.0 min: 45% A, 55% CH:FLOW_GRADIENT B; 15.0-17.5 min: 35% A, 65% B; 17.5-21.0 min: 5% A, 95% B; 21.0-25 min: 100% A, CH:FLOW_GRADIENT 0% B CH:FLOW_RATE 0.200 mL/min CH:COLUMN_TEMPERATURE 30°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS .raw files were converted to .mzML files using MSConvert software of the MS:MS_COMMENTS ProteoWizard package. The .mzML files were processed using El Maven software for MS:MS_COMMENTS peak picking, alignment, and annotation. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples Izq-Blank-1 Izq-Blank-2 Izq-Blank-3 Izq-Blank-4 DMSO-1 DMSO-2 DMSO-3 DMSO-4 Parental-1 Parental-2 Parental-3 Parental-4 Rapa-1 Rapa-2 Rapa-3 Rapa-4 Izq-QC-1 Izq-QC-2 Izq-QC-3 Izq-QC-4 Factors Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:DMSO Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum II3 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin Sample source:Cultured Plasmodium falciparum II3 | Genotype:II3 gna1-3xHA-loxP | Treatment:Rapamycin Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA Sample source:Cultured Plasmodium falciparum II3 | Genotype:NA | Treatment:NA GDP-Mannose 0 415773.16 118088.91 269731.53 6901069.5 8903288 9601102 7211758 9758618 7733889.5 7413991.5 8157141.5 10687793 15788534 14748516 13792490 6367387 9333554 8747276 5772796 1_3-Bisphosphoglyceric acid 2606975.5 55935352 36991640 39420596 493933888 543751488 537003456 574476992 612458112 613021504 531860896 596280640 580347456 742493952 720903936 630451648 1940686336 1939928448 1778603264 1728575232 2_3-Diphosphoglyceric acid 2624943.75 55880072 37128368 39622908 494544576 540440512 537394304 573073088 615549184 610884416 535070272 592154816 583846592 747505792 715871040 631432576 11084781 17956944 17636294 13258102 3-phospho-serine 2739.64 893239.62 648420.31 729684.56 14091760 15638724 2639418 15557505 11210078 3519765.5 12690842 9245260 15284148 17657244 6743893.5 4658482 28419084 29494606 28992760 26825210 3-phosphoglycerate 285449.22 7235771.5 3612852.75 5375734.5 108227064 113572680 101785368 93050568 161758880 122303472 120270848 112004128 90443096 126541008 118860768 122682272 33409516 43424988 42987520 33914680 4-aminobutyrate 118453.88 279150.12 195633.06 248792.94 16965456 19823634 18058432 18773326 19869140 17475206 16897784 14357068 18484832 21826556 22073086 20640880 62960728 95586520 89671008 68785984 4-phosphopantothenate 0 1660083.62 1326404 1314438.25 36114368 43719224 44396848 38931800 42981924 35473224 34044660 33652724 34276136 46551020 43459592 44225524 62960672 95586520 89671016 68785984 4-Pyridoxic acid 183747.84 1442906.38 873166.19 1038910.5 12866166 14468920 17491210 13031627 12657372 14014316 13882406 15863981 12783402 16478664 16914508 16408449 417226592 595689472 569276736 424351552 5-aminopentanoic acid 58225900 8836966 7134851 6468808 129931184 160735616 164145856 153718416 141231872 117372592 112898216 107897912 153924656 213577856 233868864 233235136 90246944 103810000 99880424 87418672 5-phosphoribosyl-1-pyrophosphate 0 503106.62 300397.94 150458.61 3871497.25 5983124 6695166.5 7095222 5834866.5 4892656.5 3938346 7878416.5 6938828 13880587 10302770 12239850 19832866 23380308 21948796 18982394 6-phospho-D-gluconate 0 2202261.25 1310381 1338917.88 26043714 27801644 28185906 25440460 30865536 23808110 24127686 24915536 24878544 30232706 28362960 26341696 1663349504 2454611712 2304885760 1688134144 a-ketoglutarate 4294974.5 51973660 35627944 38509428 537719808 653639744 661972544 588308608 746834880 587554304 538798464 551415616 564459904 700849600 657330432 667740672 22351784 35148960 32965256 22451480 acetyl-aspartate 318633.88 640068.44 511299.88 497419.19 3227318.75 3957345 4863801 4445977 4396591.5 3569309.5 3558780.25 3180969.5 3939107.25 4840256 4926594.5 5039211.5 29896022 42385456 39880172 28344534 acetyl-CoA 0 85392.33 10660.94 60189.89 1492907.62 1943475.62 1581699 1527722 1970773.75 1988683.38 2213515.5 2368386.5 2018320.75 2818938.5 2351807.75 1998154.5 15993652 24200558 23653248 16642075 Acetyllysine 42121.73 410475.94 252978.2 291994.28 8409160 7764881 6472445 5945427 6223527.5 5276487.5 5639507 5190765.5 6821298.5 6759034 5284290.5 4569647 11536107 12018397 11514652 9697349 aconitate 14947514 14623202 15039942 12231341 23461276 30103712 30391934 27728354 32748476 29414236 24394684 22555310 24269112 38738960 34337232 33845896 146020800 192558720 183314784 130367032 adenine 52889.47 109901.58 69551.38 75914.02 1308313.75 1758042.62 1272260.5 1107632.12 2166840 1941392.88 1140610.25 1132669.25 1076858.25 1933662.38 1115020.75 1300468.62 393331072 571955840 551135232 394197536 alanine/sarcosine 177252.08 3874675.25 3527563.5 3292965 29803256 31713954 27164614 28151056 23089286 17213096 19623448 18907740 32556088 34028060 32917402 32919152 98673168 91532896 89519704 86132880 arginine 24221102 1607796.38 1586358 1538806.38 11366784 13089034 14001270 11144214 11967660 9044705 10392878 9528977 11248944 14173468 12888003 11406962 953225.38 992991.44 899846.06 663860.88 asparagine 176500784 18657088 15007024 12961037 118708408 112069488 88827568 110508648 61786080 45283992 64554800 57302632 143333904 124924544 106200784 94298104 670316544 998739200 932839552 687438592 aspartate 121842544 58808100 47297848 42450904 940451456 1177050112 1170212992 1100076032 1069215232 848403328 822560128 822725376 928248448 1142208384 1100328832 1071085248 800324.25 1361214.75 1298558.5 939629 CDP 0 221799.14 0 48424.04 4740148 5438865.5 4893015 3885377.25 6255072.5 5260273.5 4818492 5161114.5 4477908.5 6044712 5209787.5 4238196 102043880 163213168 151670080 105942416 CDP-choline 0 37949.07 50333.79 35178.62 1073415.12 1033522.19 1304279.5 975296.56 1188939.38 785466.5 665006.19 870321.12 1323824.5 1491303.75 1280474.25 1200313.38 830075456 1242544768 1134036736 819058944 CDP-ethanolamine 0 2190110.25 1443191.38 1574395.5 37039148 47268692 34207108 35740908 44694332 32526864 30867596 30866036 41884608 58420324 45583556 35558296 1385281 2677741.25 2252281.5 1479748.5 CMP 17313.5 2254396.25 1692187.5 1727493 32330150 42253856 41757960 31676356 49327304 26037106 26260706 25020324 34570924 46163548 40388320 47583412 7473837.5 10990563 10307181 7481475 CTP 0 1078039 572135.56 592325.06 7233946 6316123.5 5385392 5688211 9191150 8324547 7178559 9100163 6393638.5 8997596 6331329 6382263 4545354.5 8460460 7713935 5016100 cytidine 326509.22 52469180 35017340 40356596 361311936 392382560 387996416 360752928 418304992 336891072 342163520 337056448 289194496 321986944 299828480 311101632 4275660 6830924.5 5989348.5 4064339.5 D-gluconate 5037749.5 1323649.12 1202090.25 1107392 26100634 35541600 35036688 31211226 42469040 30740134 25872530 23437248 27999282 42246216 42073292 44405412 31959844 51740528 45896112 30520960 D-sedoheptulose-1/7-phosphate 0 1716342.38 632185.25 870030.81 6525931.5 6965994 5231321 5855116.5 5412322.5 3350721 5610145 6418251 9462528 10097668 7974626 5189986 971500.94 1107556.75 868181.12 809908.5 dAMP 0 654048.56 604885.69 452381.72 12644979 17581530 19448332 16918392 15018015 10965307 9923178 11620774 15643442 21458692 23634598 23396316 1850508.12 3034261.5 3003389 2146493.75 dATP 0 795569.56 540039 755388.5 3929360.5 3591250.25 2657850.5 3031221 4422292 4372680 3973349.5 4562324.5 3357370.5 4337746 3518711 3491216 5189959 7749264 6340286 3608035.5 dCDP 0 0 0 0 1706619.88 2233365.75 2438259.5 1901713 1900450.88 1601618.25 1678602 1554683 1939573.25 2721181.75 2510409 2329679.25 709256.19 886966.5 831104.62 575769.38 dCMP 8258.91 453842 451555.81 305368.22 8725414 11771176 12945617 11725753 10697854 7758908 7371369 8043876 9222048 13259700 14878232 14296681 9589681 14482252 13063408 9383838 dCTP 0 182452.52 82990.39 103684.86 2404295.75 2697333.75 2428970 2051715.88 2764684 2309628.75 2380629.25 3386179.5 2001241.62 3034231.75 2178339.5 2483734 3066341.75 4739063 4801255.5 3293595.25 dGDP/ADP 230107.16 14684274 7417003 11535928 226273552 265453088 250052160 208754448 319088192 271664352 258679728 253855600 214020736 296488320 248441424 239744352 25548076 39326152 37428428 25899180 dGMP/AMP 427486.38 52391500 38704580 40657236 702920512 898240192 895032320 770966272 846826240 699650496 665706048 657278144 729994432 925390080 931505408 904134784 29871314 40570940 35500588 25696228 dGTP/ATP 398631.94 79728840 46809696 73357760 247997984 219248096 169121376 190821664 339878656 292439680 270870976 323660128 204141680 292386688 227609888 223417440 2794498.5 3022698.5 2974271.75 2668484 dihydroorotate 107752.1 1399890.88 1289721.5 907144.62 11433633 9852109 7752873 9063831 10671209 6171556.5 8452981 7545105.5 19918324 18493854 14322978 12572731 156688512 246093072 226480512 151311488 dihydroxy-acetone-phosphate 3431.62 593201.5 41088.56 246078.84 5346384 4981300.5 4217943.5 4089544 11936954 5696510 5802979.5 9583960 5066537 6141003 5655703 6386993 7761443.5 12181218 11164670 7732905 DL-Pipecolic Acid 30314.36 13619112 10237794 10685653 219384160 247227664 242943008 221311760 238091136 179786720 183305088 166107376 196799632 222141120 203384704 188753760 2127322 3256759 2953574.5 2125410.75 DLH 0 1503030.75 982662.62 1181615.25 28999152 37508008 35185768 28679488 41171160 29308748 27068690 24148892 28450584 39943720 33408240 30478338 1129963.5 1961177 1782905.75 1279020.38 DLS 106565.31 656877.5 491224 644986.25 18955012 26359886 24405276 20440750 25687342 18795002 16224550 14653476 20491282 30086220 26788000 23046292 887186.38 1241339.12 1109447.5 764221.25 dTDP 0 831861.44 442356.56 562152.31 14370853 16692376 16594230 14246301 14755035 12587159 12939403 13828250 13728467 18861166 16474182 14992895 109502416 201801296 182359120 130395168 dTMP 0 1931119.38 1813642.38 1392087.75 43420968 61310108 65682948 60617168 43646668 36495640 35407528 34329972 52816128 76081016 83375560 83371424 47992960 71242816 67844936 46133704 dTTP 0 1371579.12 891202.38 1290232.5 9726976 9461532 7671931.5 7879534.5 11583168 9501152 9431422 12084685 7767291.5 10962048 8579201 8350898 5480797 8202471.5 7800591 5533555 dUMP 0 0 0 0 503806.09 832234.88 1068478.88 1128340.38 471566.72 395657.5 306572.69 852623.69 1193809.25 1937111.62 2814104.25 3282041.5 14951698 22286984 21296594 14125898 EV 25382.62 62335.08 115957.38 34539.47 566038.12 720443.88 457051.94 992963.12 459086.72 179633.94 524396.38 165179.25 1220751.25 997385 536003.81 648885.19 244944560 358235104 319437376 237658816 FAD 0 184507.66 91083.35 130726.4 3113147.5 3659548.75 3657241.5 2869705 4045386.5 3154739.75 3150827.75 2982923.25 2676763.5 3562316.75 3490324 3340642.75 22256444 36068736 32483340 21322800 fructose-1-6-bisphosphate 0 1089625.5 363949.16 432313.5 16277280 18284490 17957418 17224208 27804406 22505854 19286208 26227992 19034186 27621720 23571930 21687684 96894384 116549632 87819840 61977272 fumarate 12135722 16180208 15984463 15503194 83267864 95451816 92312936 85595112 79628472 83017944 80288168 76164576 102408384 125820792 129107760 122591344 6636138 7137060 5706809.5 5405874 GDP 21880.24 702201.06 286537.91 405349.88 11533907 13574508 12712025 11151883 16633979 13159838 11082978 12332552 11935654 15879498 13200795 12341936 25233296 37702784 35138520 23318148 D-glucosamine-1/6-phosphate 11939.58 533967.38 350733.31 473878.25 11218707 14246684 13222945 11588717 14767805 11268059 10252986 8897322 11730993 15377306 13712163 13835507 7521598 11874190 10879461 7543211.5 glutamate 93325840 167658720 121110464 128660576 2190560768 2621715968 2600232192 2445734912 2748720640 2229796864 2139736448 2054821888 2392579072 3016441088 2868111360 3305770496 1873500.5 2509648.75 2428815.5 1744022.75 glutamine 893749.75 15933803 14211095 13858861 84854016 96185472 90169520 97779536 77892256 72022352 84950024 71849440 125484704 146632784 145077040 142825072 6401169 10312148 9697751 6556934 glutathione 36068.77 1221506.5 1271587.38 1330949.88 113755840 141376480 26375402 58136664 280668704 55050600 55312644 17958984 125514688 193350192 28792166 45334064 61507732 79858456 63772468 41232704 glutathione disulfide 55777.67 24571564 17391758 21010280 308305696 382930848 402617376 325158432 398524448 321146464 319238176 308589408 324485120 422792992 412919808 385255392 738021.5 1053335.62 1006531.75 750880.62 GMP 36269.2 8446470 5482199.5 6432234.5 125950336 160073376 160365008 133350928 149389152 133067424 123527440 127789072 134365392 166975920 163407392 168503504 1001893.31 1394367 1337655.12 964006.19 guanine 3582.87 1695406.25 1434639.38 919678.25 21660704 30543764 36977516 29229876 25398592 17574776 15578468 21580316 23995672 31213496 32991580 31549648 718902.5 466625.34 225251.2 382608 hexose-phosphate 351040.12 3975882 3250640 3372279 23330852 23228826 21279894 19613772 22466708 17117358 16514784 19412888 21888540 24472096 21880342 18902532 8755173 14289379 12679964 9072540 histidine 4552863 2133107.5 2173278 1781560.75 18297504 23630302 21000776 23029770 18575624 14258998 15333781 13941011 26208334 34316668 32722144 29389256 37245308 61573980 57041024 39610924 hydroxyproline/Aminolevulinate 37379492 2645248 1551707.5 2013701.5 9438973 11244638 11344911 11044509 10969672 9785228 9867684 10044639 11649651 14538201 15005638 15923230 15061190 19458540 17383822 14492218 hypoxanthine 950786 10488320 7374369.5 6983965 130101528 176760768 198154560 162363648 189833728 164146080 144727680 149420384 135810576 179834816 194857024 179581136 3148508.25 4752709 4677885.5 3238940.5 IMP 18333.31 18915936 12729296 10985820 224680864 286553824 324576992 284032320 224643744 208499072 198900960 248983616 270827168 324973248 340626144 319098528 366841408 559502272 554930496 426790208 isoleucine 469491520 13815792 7439046.5 9912282 135920976 172509504 200347888 156554352 209881072 195600496 174939296 173964416 152106480 251179664 273074944 296215648 364364928 556034752 551515264 428998432 L-arginino-succinate 0 54605.91 54356.91 55641.82 1295724 1595691 1599884.12 1416178.75 1105608 885295.5 927494.75 882126.75 1697880.38 2210694.5 2134329.5 2251670.5 17789548 27161380 24757128 17846236 lactate 489638976 927339520 997885824 836753536 2391788800 2168428544 1651771264 1788736000 1592295680 1335705472 1770785408 1407734528 2203205632 2200825344 1831442688 1563859712 548896512 792427264 713826560 543249152 LD 36180.72 776801.25 446807.62 264480.16 14066942 16980998 15189039 13065640 18714012 13228516 12781255 12124272 12993418 15375402 14786019 14241348 180093600 266082208 245708320 179437712 leucine 388493248 35202632 22862608 25730446 538891392 664574080 729617024 554281472 652324480 556993984 512468288 505612480 511937536 651425664 649564800 719717504 30656010 48666292 46592088 31650710 lysine 8381672.5 4361431.5 3786523.75 3824300.25 27098620 28241234 24356414 25620906 22626592 17320266 20776458 18636568 28892488 29769300 27296088 24162516 94867960 143018528 132572416 94880816 malate 130683728 173136272 165855824 151578816 1027159168 1253385472 1263719168 1086930432 1158577152 1023382464 973120640 1004861056 1283351168 1712399104 1676077568 1587661568 490998.12 846602.19 726062.56 486574.88 maleic acid 12135720 16180235 15984486 15503212 83267896 95451808 92312960 85595128 79628512 83017968 80288224 76164584 102408432 125820832 129107776 122591360 2064751 3363344.75 3019404 2117754.75 methionine 29449308 2778203.75 1755201.75 1833127.25 38332460 45127888 48859768 40855480 44434156 40351388 39467108 39414200 39804776 50704904 51368856 46127692 14081872 22206404 19524714 13174575 myo-inositol 1473161.38 3978103.5 3873843 2738776.5 37590420 28019584 15602893 20365516 13793037 7754415 18794544 10775933 31299302 27886576 18558042 13667045 21317156 31423024 28007576 19607070 N-acetyl-glucosamine-1/6-phosphate 0 56136.18 9807.38 51975.34 3289797.5 3729196.5 3314158.5 3217103 3506325.75 2744128 2836902.5 2531895.75 1342303.38 1523352.38 1329009.12 1178660.12 5160237 6527590 5987939 4572157.5 N-acetyl-glutamate 408015.59 1131585.25 1004655.56 811715.5 11664276 13182451 14108992 12934846 16906144 12738924 11632330 11489464 13167974 16078856 16514772 15754312 1216134.12 1814915.88 1938346.38 1096644.5 N-acetyl-glutamine 15670.26 94543.73 65266.79 18030.2 1348944.88 1895593.88 1880769.5 1665531 2093474 1602619.25 1362366.75 1259891 1511393.88 1948736 2001496.38 1906086.12 743654.69 909978.38 867688.31 665452.88 N-Acetyl-L-alanine 1532736.5 2379518 2185755.75 2173580.25 29426284 39034188 39090596 36269980 43120404 30780148 28081396 27968776 33855176 44480156 42219032 41015672 3872505.75 6655569.5 5286194.5 4236213.5 N-acetyl-L-ornithine 44261.65 555875.25 409028.94 451416.72 12216294 12755471 11496212 10086032 10455014 8647818 8727066 8071342.5 10577832 11422834 9921153 8575524 33144042 54574320 49751552 33932844 N-carbamoyl-L-aspartate 89531.16 4914579 2117135.25 3615196.25 61548544 72263072 73581904 68370640 116599344 94209080 92342528 90230328 109147776 135421760 132973032 125331552 25505568 35918036 30191952 21849284 NAD+ 11572.34 10005074 5537798 6546537.5 82137376 122116120 48519568 92028016 143057696 89407160 78952592 99533064 87511776 134453712 114326448 100657224 334938176 550201984 508161024 341942592 NADP+ 0 1953345.12 1074563.62 1115283.25 31261030 40600148 42393876 31691032 49189032 35075848 32225104 36149504 31302462 48579964 42298496 39644504 9914455 15406102 14632235 9716372 nicotinamide mononucleotide 2543.81 75263.29 48435.81 67786.16 932861.44 1104577.25 1097688.25 990324.38 1137111.88 863180.88 914042.44 972822.06 1055577.62 1341054.5 1198770.5 1206814.12 12548652 20683992 18743600 12372180 nicotinate 2424749.5 2359586.5 2521840.75 1970556 10987780 11986019 12466610 11201733 10238942 8327633.5 6435992 5407796 7709649 11976696 13004676 14985487 5042013 9091466 9111020 5594687 Octulose 8/1P 0 224847.88 185208.56 140512.86 6336643.5 7596252 6968032.5 6543686 7208965 2895834.5 5466026 5688521.5 5782279 7286452 5191406 3061513.5 12474517 20653336 18853374 12330630 Octulose Bisphosphate 0 22238.7 0 0 942702.12 1135841.12 1096218.5 963732.75 1200747.12 954254.88 738341.12 930359.31 939578.56 1261879.62 1162726.38 1008807.81 795317.5 1029913.25 944651.88 707293.44 ornithine 1716539.38 198763.17 273419.28 200607.12 827149.31 919822.06 963290.81 979001.31 1205679.75 760467.44 862651.69 717608.5 910264.5 1108804.38 759528 1045575.19 12110112 20241874 19470350 12651651 orotate 48547.11 481588.38 397832.06 368283.19 11223061 14282455 14396926 14305054 16644884 11341668 9528798 10465931 14128059 16911930 17472608 19799474 20784224 28830492 27426620 19442840 PD 33023.37 9140742 6992787.5 7280715 191706944 238865888 226127040 203931104 222812960 169973504 170633360 152478224 205051136 269339648 246589008 229348880 6896384.5 10090924 9387632 6821549 PE 3530.64 2082775.25 1580814.25 1581137 43767716 53232632 50827940 44748504 47461640 37425056 36410432 33655568 44517848 57936288 51789552 46134816 13296716 10972907 10547587 8386040 PEE 0 884189.5 611188.19 724776 19637726 25070904 25676208 19911436 23196328 17234422 16831988 16677906 20638704 29702116 27302800 25404572 2673070.25 3897665.5 3751362.25 3060970.25 PEEK 0 50847.46 28667.77 27745.4 1149065.38 1513861.25 1529482.75 1174169.5 1406837.88 982240.75 960902 942769.25 1244331.75 2110799.5 1534717.25 1539233.88 62025572 95377496 89267352 63842788 Phenol Red 23745540 2579594.5 1737765.38 2111208.25 42433236 56550504 51680464 48343100 56559012 48382844 42226620 42641160 45475044 63476016 59473192 56873608 23439768 21211144 18915494 18969424 phenylalanine 101763392 12493214 8516855 8915672 198936640 255326560 267635360 211249504 261107136 206239696 187354992 195431328 191608128 254269408 255496496 247535152 92388344 132178744 126075296 91240848 phosphoenolpyruvate 344232.31 1557302.88 694547.81 1166527.5 31732830 31979920 27871874 25211146 39276736 29030936 27011094 31091586 20549452 27765964 26794014 33925284 8922458 13130492 12491209 8666460 proline 27332104 4388314.5 3177481.25 2999242 40505408 47615176 52285624 45032840 45923848 38216924 38782756 38235420 39917224 44282084 46002144 42123168 11460526 11450674 10377870 9394365 PTT 3784.97 71233.83 32647.31 50861.98 1208003.5 1260318.62 1120361.75 901430.25 1227481.62 825931.88 866676.88 750315.94 976975 1119119.38 802135.75 700906.19 379405504 482477856 425272256 351864640 PVNF 13630.69 470184.03 329137.34 479749.31 11573803 13385386 11405680 9298555 15092472 13639884 12094983 9651444 8951345 12126495 9607212 8846978 18047542 28361648 26425406 17538946 pyridoxine 4533807 91417.94 35958.7 39303.44 1958715.25 3098188.5 4067297.5 2470313 4985121 4546197 3720969.25 3377827.75 2188274.5 4580248 4228407 4284316 2363773.75 3471883.5 3121286 1899462.5 Pyroglutamic acid 38792116 59289976 74595128 63604240 269920768 404933504 359396544 279571872 313995296 304513536 266560016 224260096 264709296 307078176 270247712 264740784 3876571 6104705 5368419 3853966 pyruvate 11025672 22472070 23237614 18606326 179325568 212219232 193922496 181137856 196543632 169264976 158344112 155110912 153588816 207272544 194904048 203658256 146233360 221641632 204607840 142437312 Ribose-5-phosphate 230070.59 2066442 1012998.25 1000341.94 9593825 9245186 6996583.5 8316925 6003614 4582941 6184079.5 9072797 11902401 10725528 9501910 7783337.5 10632854 17854654 16383651 11400292 ribose-phosphate 231387.3 1966746.25 971047.88 999922.12 9553698 9390815 7080229 8328652 6124715 4455957 6215836 9157035 11854105 10963592 9001865 7724122 22608532 32654788 30764320 21840164 ribulose-5-phosphate 51556.28 3389422.5 1079676.25 1359338.5 25538628 30405948 28571904 29370910 29123298 25198440 27315244 52604672 33021450 43606776 40213728 36385616 7111272.5 8361130.5 7419170 6784669 S-adenosyl-L-homocysteine 0 369933.88 301545.66 247863.5 6631928.5 8213404 7730676.5 6852412 5918286 3845337.75 4822909 3874827.25 6944636 8808124 7394163 8195075 133851680 204387616 188786848 133598232 SD 0 550633.88 353608.97 419285.75 17695206 21022954 19345246 16527938 19759612 15658072 15473054 13692386 18124388 22970272 20624104 17724612 8868950 7556934 6690328 7301931.5 SDL 338495.38 251963.72 244912.89 274535.16 9608309 11828476 11269048 8916157 12993924 9176321 8368758.5 6269628.5 8879978 11847596 11294748 9030272 1174424.62 1325163 1328650 1143782.12 Sedoheptulose bisphosphate 0 67144.13 26294.82 21916.52 2943241.5 3777721.25 3879744.75 3191451 4902027 3374109.75 3043922 3493471.75 3240671.75 4700147.5 4420467 3915831.25 289078976 344314496 329662720 272654016 serine 50575224 5743444.5 5985333.5 4774034.5 34408192 35470476 28657160 31978698 20733200 16899976 21824758 18272220 42677680 39276000 35156768 33104194 7180776 8136447.5 7691924 7028880.5 SID 102588.84 678875.25 491227.5 644652.25 18850166 26352922 24428322 20306162 25649504 18852008 16221308 14639457 20419902 29921182 26593928 23010608 6671943.5 8526510 7461744 6838012 sn-glycerol-3-phosphate 607059.31 45066672 25183188 33999692 495382816 559423296 428013664 423042880 584999808 400676096 442407104 387753568 468766784 535307616 431883264 360896032 9372880 14716706 13787006 9796466 succinate/Methylmalonic acid 1154155008 1032714176 812942976 620262528 1245672064 1895082112 1751007104 1480483584 1897325824 1628856704 1116193920 1103865728 1084100352 1892806784 1367268864 1416739712 10662566 14601992 14283862 10755279 thiamine 1283182.38 232972.44 195477.17 207488.05 4850613 5908292 5744699 5341166.5 5888901 3864041.5 4799060 4286565 4426101.5 6066101 5738043 5663367 71590272 112372984 105771128 75212792 Thiamine pyrophosphate 0 127286.92 94477.16 82441.17 3996658.5 4007996.75 2024509.38 3588498.5 1429451.12 963194.62 2505537.5 1156097.75 3737081 3549548.25 2360592.75 2069784.5 1153285.38 1648242.5 1584322.5 1128309.5 threonine/homoserine 57866112 5336234.5 4957232 3909473.5 42482300 50710560 49972160 48780448 36626856 28487860 30733844 32843962 51975556 61423488 58475272 58411404 4070586 6026827.5 5630326 4115846.25 thymidine 169604.55 252453.16 274985.16 212558.53 1385792.5 1584387.5 2692917.75 1882066.38 850350.25 562895.94 813339.19 838395.75 1530777.5 1394590.75 1608195 2107872.5 9619272 13276910 13063296 9656937 tryptophan 6549457 2894101.5 2197080.75 2126433.5 37069532 36281932 37326832 38685192 36754004 31039932 32588602 28868722 37569740 46173028 51903860 57782064 19017840 31809164 29689812 19756706 tyrosine 107032864 8438658 5976922 5855891 107039552 131554064 143065760 125073912 137319472 115730752 106153256 108320856 123441344 174015232 192550416 196716256 27634344 39330444 36529136 28368776 UDP 0 2038383.25 1046807.38 1596351.88 39989936 46609408 43165524 36329228 50557440 40447976 38873368 36455048 38863204 49146048 39301784 35772152 100297056 154416800 149724096 106204240 UDP-D-glucose 0 3609923.5 2196767.5 2887859.75 63803064 77613856 79632400 64147752 87883448 66928488 63517844 65116244 68095776 92600952 85462256 82386792 100297056 154416800 149724096 106204240 UDP-D-glucuronate 0 464209 122852.27 333648.19 7242773 8906878 9261348 7117804 10145104 8280940 8465753 9268867 7048820.5 9783688 9127544 8390142 1025713536 1510972672 1423055104 1087970944 UDP-N-acetyl-glucosamine 0 1258217.62 899481.75 1096049.25 24507330 31562042 32985270 25264490 34806808 26033800 24804026 23838954 10376861 14094810 12183200 12301255 36053064 46296536 43523068 34314128 UMP 92353.03 22467712 16593528 16112934 480765696 654620992 644900224 563541952 517730912 446651456 408182656 441517440 507816192 711156032 753414784 722619584 15835588 21474478 20371188 15846325 uridine 5386.71 966409.38 793254.94 486651.72 8524460 9729536 15643675 10868622 7073961 5418535.5 5165930 7922330 9439410 8852866 9365245 10102264 6185236.5 9846400 9179972 6179154.5 UTP 0 8697609 4913033.5 6394896 57991572 51660284 44648496 42966720 64830932 57766320 57180928 62590872 48733488 64480504 43705452 44336076 202826816 294220256 269765376 210898224 valine 58225900 8836966 7134851 6468808 129931184 160735616 164145856 153718416 141231872 117372592 112898216 107897912 153924656 213577856 233868864 233235136 142171328 205825760 195729744 148992112 VD 13062.61 2558978.25 1920107.38 1791377.5 15236349 9588940 9174131 8321017.5 7835136 5793213.5 5925400 6150356 14443739 9990159 8311804 7622312 113193120 180082528 168014784 116856968 xanthosine-5-phosphate 0 34711.21 0 0 708348.19 811358.12 619221.25 642621.44 1315751.5 874957.75 772777.5 950891.81 790582.75 1052938.38 1028808.25 1071854.25 22865990 27241990 25860748 22458148 chlorpropamide 56286632 60253156 69114280 67025252 53503020 60360300 59096952 57858244 71498896 57082684 48309564 55126172 55568612 74984544 65788280 71783912 29118766 43837304 41106056 28883456 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Median m/z Median RT (Min) 1_3-Bisphosphoglyceric acid C3H8O10P2 264.951874 15.574 2_3-Diphosphoglyceric acid C3H8O10P2 264.951874 15.574 3-phospho-serine C3H8NO6P 184.001419 9.27 3-phosphoglycerate C3H7O7P 184.985382 13.929 4-aminobutyrate C4H9NO2 102.056015 3.594 4-phosphopantothenate C9H18NO8P 298.06955 14.372 4-Pyridoxic acid C8H9NO4 182.045731 12.721 5-aminopentanoic acid C5H11NO2 116.071632 1.623 5-phosphoribosyl-1-pyrophosphate C5H13O14P3 388.944519 15.505 6-phospho-D-gluconate C6H13O10P 275.017273 13.814 a-ketoglutarate C5H6O5 145.01413 13.713 acetyl-aspartate C6H9NO5 174.040543 13.521 acetyl-CoA C23H38N7O17P3S 808.118347 16.648 Acetyllysine C8H16N2O3 187.108627 1.653 aconitate C6H6O6 173.009247 14.334 adenine C5H5N5 134.047134 3.431 alanine/sarcosine C3H7NO2 88.040192 1.381 arginine C6H14N4O2 173.104095 1.154 asparagine C4H8N2O3 131.046082 1.276 aspartate C4H7NO4 132.030075 4.062 CDP C9H15N3O11P2 402.010742 13.784 CDP-choline C14H26N4O11P2 487.099854 6.625 CDP-ethanolamine C11H20N4O11P2 445.052856 7.02 chlorpropamide C10H13ClN2O3S 275.026337 17.618 CMP C9H14N3O8P 322.044403 9.664 CTP C9H16N3O14P3 481.977051 15.412 cytidine C9H13N3O5 242.079681 1.499 D-gluconate C6H12O7 195.050797 5.69 D-glucosamine-1/6-phosphate C6H14NO8P 258.038116 5.052 D-sedoheptulose-1/7-phosphate C7H15O10P 289.032806 7.611 dAMP C10H14N5O6P 330.06076 12.478 dATP C10H16N5O12P3 489.993896 15.807 dCDP C9H15N3O10P2 386.015991 13.919 dCMP C9H14N3O7P 306.049469 10.594 dCTP C9H16N3O13P3 465.982086 15.449 dGDP/ADP C10H15N5O10P2 426.022217 14.382 dGMP/AMP C10H14N5O7P 346.055603 12.07 dGTP/ATP C10H16N5O13P3 505.988373 15.685 dihydroorotate C5H6N2O4 157.025711 7.512 dihydroxy-acetone-phosphate C3H7O6P 168.990524 10.235 DL-Pipecolic Acid C6H11NO2 128.071655 1.857 DLH C16H25N5O6 382.173035 4.561 DLS C13H23N3O7 332.145447 12.597 dTDP C10H16N2O11P2 401.015259 14.404 dTMP C10H15N2O8P 321.049072 11.926 dTTP C10H17N2O14P3 480.982056 15.716 dUMP C9H13N2O8P 307.033508 11.521 EV C10H16N2O5 243.098206 7.756 FAD C27H33N9O15P2 784.149536 15.573 fructose-1-6-bisphosphate C6H14O12P2 338.988586 14.31 fumarate C4H4O4 115.003647 13.307 GDP C10H15N5O11P2 442.016815 14.045 GDP-Mannose 604.069702 13.592 glutamate C5H9NO4 146.04567 3.665 glutamine C5H10N2O3 145.061676 1.323 glutathione C10H17N3O6S 306.076263 8.246 glutathione disulfide C20H32N6O12S2 611.144104 13.146 GMP C10H14N5O8P 362.050781 11.333 guanine C5H5N5O 150.041962 2.805 hexose-phosphate C6H13O9P 259.022034 7.382 histidine C6H9N3O2 154.062027 1.155 hydroxyproline/Aminolevulinate C5H9NO3 130.050827 1.287 hypoxanthine C5H4N4O 135.031067 3.041 IMP C10H13N4O8P 347.039703 11.319 isoleucine C6H13NO2 130.087189 2.56 L-arginino-succinate C10H18N4O6 289.115204 3.798 lactate C3H6O3 89.024178 7.596 LD C10H18N2O5 245.11409 10.543 leucine C6H13NO2 130.087158 2.704 lysine C6H14N2O2 145.097946 1.107 malate C4H6O5 133.014145 13.326 maleic acid C4H4O4 115.003647 13.307 methionine C5H11NO2S 148.043671 2.001 myo-inositol C6H12O6 179.055893 7.616 N-acetyl-glucosamine-1/6-phosphate C8H16NO9P 300.048737 7.893 N-acetyl-glutamate C7H11NO5 188.056488 13.573 N-acetyl-glutamine C7H12N2O4 187.072281 8.163 N-Acetyl-L-alanine C5H9NO3 130.050797 8.326 N-acetyl-L-ornithine C7H14N2O3 173.09288 1.766 N-carbamoyl-L-aspartate C5H8N2O5 175.035706 13.103 NAD+ C21H27N7O14P2 662.101562 9.405 NADP+ C21H28N7O17P3 742.068298 14.13 nicotinamide mononucleotide C11H15N2O8P 333.049133 1.754 nicotinate C6H5NO2 122.024742 11.762 Octulose 8/1P C8H17O11P 319.043121 8.229 Octulose Bisphosphate C8H18O14P2 399.009552 14.132 ornithine C5H12N2O2 131.082489 1.15 orotate C5H4N2O4 155.009811 8.806 PD C9H14N2O5 229.082703 4.187 PE C10H16N2O5 243.098358 4.429 PEE C15H23N3O8 372.141022 12.653 PEEK C21H35N5O9 500.236053 3.301 Phenol Red C19H14O5S 353.048981 17.468 phenylalanine C9H11NO2 164.071594 6.104 phosphoenolpyruvate C3H5O6P 166.975052 14.32 proline C5H9NO2 114.055954 1.44 PTT C13H23N3O6 316.150909 1.532 PVNF C23H33N5O6 474.235382 12.936 pyridoxine C8H11NO3 168.066452 1.917 Pyroglutamic acid C5H7NO3 128.035233 7.652 pyruvate C3H4O3 87.008545 9.186 Ribose-5-phosphate C5H11O8P 229.011581 7.565 ribose-phosphate C5H11O8P 229.011581 7.546 ribulose-5-phosphate C5H11O8P 229.01149 8.186 S-adenosyl-L-homocysteine C14H20N6O5S 383.114319 6.996 SD C7H12N2O6 219.061981 3.72 SDL C13H23N3O7 332.145111 12.803 Sedoheptulose bisphosphate C7H16O13P2 368.998993 14.162 serine C3H7NO3 104.035324 1.278 SID C13H23N3O7 332.145447 12.597 sn-glycerol-3-phosphate C3H9O6P 171.006332 7.82 succinate/Methylmalonic acid C4H6O4 117.019302 12.593 thiamine C12H16N4OS 263.097412 1.22 Thiamine pyrophosphate C12H18N4O7P2S 423.029724 8.202 threonine/homoserine C4H9NO3 118.050911 1.304 thymidine C10H14N2O5 241.082886 7.009 tryptophan C11H12N2O2 203.082504 8.281 tyrosine C9H11NO3 180.066467 2.845 UDP C9H14N2O12P2 402.994751 14.036 UDP-D-glucose C15H24N2O17P2 565.047363 13.582 UDP-D-glucuronate C15H22N2O18P2 579.027161 15.356 UDP-N-acetyl-glucosamine C17H27N3O17P2 606.074158 13.617 UMP C9H13N2O9P 323.028412 10.966 uridine C9H12N2O6 243.06192 3.608 UTP C9H15N2O15P3 482.961212 15.552 valine C5H11NO2 116.071632 1.623 VD C9H16N2O5 231.098373 7.389 xanthosine-5-phosphate C10H13N4O9P 363.03476 13.444 METABOLITES_END #END