#METABOLOMICS WORKBENCH kenanazam_20181204_201054 DATATRACK_ID:1581 STUDY_ID:ST001107 ANALYSIS_ID:AN001801 PROJECT_ID:PR000740 VERSION 1 CREATED_ON December 5, 2018, 12:06 pm #PROJECT PR:PROJECT_TITLE Chronic Maternal Cortisol Excess During Late Gestation Leads to Metabolic PR:PROJECT_TITLE Alterations in the Newborn Heart PR:PROJECT_SUMMARY Our laboratory has previously shown in an ovine model of pregnancy that abnormal PR:PROJECT_SUMMARY elevations in maternal cortisol during late gestation lead to increased fetal PR:PROJECT_SUMMARY cardiac arrhythmias and mortality during peripartum. Furthermore, transcriptomic PR:PROJECT_SUMMARY analysis of the fetal heart suggested alterations in TCA cycle intermediates and PR:PROJECT_SUMMARY lipid metabolites in animals exposed to excess cortisol in utero. Therefore, we PR:PROJECT_SUMMARY utilized a sheep model of pregnancy to determine how chronic increases in PR:PROJECT_SUMMARY maternal cortisol alter maternal and fetal serum prior to birth and neonatal PR:PROJECT_SUMMARY cardiac metabolites and lipids at term. Ewes were either infused with 1 PR:PROJECT_SUMMARY mg/kg/day of cortisol starting at gestational day 115 (n=9), or untreated (n=6). PR:PROJECT_SUMMARY Serum was collected from the mother and fetus (125 d-birth), and hearts were PR:PROJECT_SUMMARY collected following birth. Proton nuclear magnetic resonance (1H-NMR) PR:PROJECT_SUMMARY spectroscopy was conducted to measure metabolic profiles of newborn heart PR:PROJECT_SUMMARY specimens as well as fetal and maternal serum specimens. Mass spectrometry was PR:PROJECT_SUMMARY conducted to measure lipid profiles of newborn heart specimens. We observed PR:PROJECT_SUMMARY alterations in amino acid and TCA cycle metabolism as well as lipid and PR:PROJECT_SUMMARY glycerophospholipid metabolism in newborn hearts after excess maternal cortisol PR:PROJECT_SUMMARY in late gestation. In addition, we observed alterations in amino acid and TCA PR:PROJECT_SUMMARY cycle metabolites in fetal but not in maternal serum during late gestation. PR:PROJECT_SUMMARY These results suggest that fetal exposure to excess maternal cortisol alters PR:PROJECT_SUMMARY placental and fetal metabolism prior to birth and limits normal cardiac PR:PROJECT_SUMMARY metabolic maturation, which may contribute to increased risk of peripartum PR:PROJECT_SUMMARY cardiac arrhythmias observed in these animals, or later life cardiomyopathies. PR:INSTITUTE University of Florida PR:LAST_NAME Keller-Wood PR:FIRST_NAME Maureen PR:ADDRESS 1345 SW Archer Rd, PO 100487, Gainesville, FL, 32610 PR:EMAIL kellerwd@cop.ufl.edu PR:PHONE na #STUDY ST:STUDY_TITLE NMR Metabolomics of Newborn Heart Tissue Exposed to Excess Maternal Cortisol in ST:STUDY_TITLE Late Gestation (part -II) ST:STUDY_TYPE Comparison ST:STUDY_SUMMARY Cardiac tissue from newborn hearts from animals exposed to excess maternal ST:STUDY_SUMMARY cortisol in late gestation and untreated was compared via NMR metabolomic ST:STUDY_SUMMARY analysis ST:INSTITUTE University of Florida ST:DEPARTMENT Biochemsitry & Molecular Biology ST:LAST_NAME Walejko ST:FIRST_NAME Jacquelyn ST:ADDRESS R3-226 Academic Research Building, Department of Biochemistry and Molecular ST:ADDRESS Biology, PO Box 100245, Gainesville, FL 32610-0245 ST:EMAIL jwalejko@uga.edu ST:PHONE NA ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 36 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Ovis aries SU:TAXONOMY_ID 9940 SU:AGE_OR_AGE_RANGE Within 6 hours of birth #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 717 717_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 3843 3843_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 717 717_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 3843 3843_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 3843 3843_S Treatment:Cortisol | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 717 717_S Treatment:Cortisol | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 753 753_S Treatment:Control | Heart Area:Septum Batch=2 SUBJECT_SAMPLE_FACTORS 767 767_S Treatment:Control | Heart Area:Septum Batch=2 SUBJECT_SAMPLE_FACTORS 753 753_LV Treatment:Control | Heart Area:Left_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 767 767_LV Treatment:Control | Heart Area:Left_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 802 802_S Treatment:Cortisol | Heart Area:Septum Batch=2 SUBJECT_SAMPLE_FACTORS 753 753_RV Treatment:Control | Heart Area:Right_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 767 767_RV Treatment:Control | Heart Area:Right_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 802 802_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 802 802_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=2 SUBJECT_SAMPLE_FACTORS 1576 1576_S Treatment:Cortisol | Heart Area:Septum Batch=3 SUBJECT_SAMPLE_FACTORS 1610-16 1610-16_LV Treatment:Control | Heart Area:Left_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1577 1577_RV Treatment:Control | Heart Area:Right_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1576 1576_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1610-16 1610-16_RV Treatment:Control | Heart Area:Right_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1576 1576_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1610-16 1610-16_S Treatment:Control | Heart Area:Septum Batch=3 SUBJECT_SAMPLE_FACTORS 1577 1577_LV Treatment:Control | Heart Area:Left_ventricle Batch=3 SUBJECT_SAMPLE_FACTORS 1577 1577_S Treatment:Control | Heart Area:Septum Batch=3 SUBJECT_SAMPLE_FACTORS 706 706_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 706 706_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 706 706_S Treatment:Cortisol | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 729 729_S Treatment:Cortisol | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 729 729_RV Treatment:Cortisol | Heart Area:Right_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 729 729_LV Treatment:Cortisol | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 734 734_RV Treatment:Control | Heart Area:Right_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 734 734_S Treatment:Control | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 734 734_LV Treatment:Control | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 770 770_S Treatment:Control | Heart Area:Septum Batch=1 SUBJECT_SAMPLE_FACTORS 770 770_LV Treatment:Control | Heart Area:Left_ventricle Batch=1 SUBJECT_SAMPLE_FACTORS 770 770_RV Treatment:Control | Heart Area:Right_ventricle Batch=1 #COLLECTION CO:COLLECTION_SUMMARY Immediately following birth, the lambs were euthanized with an overdose of CO:COLLECTION_SUMMARY Euthasol (pentobarbital sodium and phenytoin sodium; Virbac AH Inc), and heart CO:COLLECTION_SUMMARY tissue was collected from the right ventricle (RV), left ventricle (LV), and CO:COLLECTION_SUMMARY intraventricular septum (IVS) and immediately frozen in liquid nitrogen. Tissue CO:COLLECTION_SUMMARY samples were stored at -80 °C until data collection. CO:SAMPLE_TYPE Cardiac tissue CO:COLLECTION_METHOD Heart tissue was collected under sterile conditions and immediately frozen in CO:COLLECTION_METHOD liquid nitrogen CO:COLLECTION_LOCATION University of Florida CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS Cryovials CO:STORAGE_VIALS Cryovials #TREATMENT TR:TREATMENT_SUMMARY The treatment protocol for this study was previous published in Antolic, A., et TR:TREATMENT_SUMMARY al. (2018). "Chronic maternal hypercortisolemia in late gestation alters fetal TR:TREATMENT_SUMMARY cardiac function at birth." Am J Physiol Regul Integr Comp Physiol 314(3): TR:TREATMENT_SUMMARY R342-R352. TR:TREATMENT_COMPOUND Hydrocortisone sodium succinate in sodium phosphate (Solu-Cortef; Pfizer, New TR:TREATMENT_COMPOUND York, NY, USA) TR:TREATMENT_DOSE 1 mg/kg/day #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Heart tissue (20-50 mg) was cut and weighed on dry ice before being placed on a SP:SAMPLEPREP_SUMMARY sterile agar plate. Thirty μL of deuterium oxide (D2O) was added to each tissue SP:SAMPLEPREP_SUMMARY sample before being placed in a 4 mm HR-MAS rotor (Bruker Biospin, Billerica, SP:SAMPLEPREP_SUMMARY MA, USA) and leftover D2O (from original 30 μL) was added to the rotor with a SP:SAMPLEPREP_SUMMARY pipette after placement of tissue. The samples were kept on dry ice until data SP:SAMPLEPREP_SUMMARY acquisition. SP:SAMPLEPREP_PROTOCOL_COMMENTS Organ: Heart #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:PROCESSING_PARAMETERS_FILE Hearts_CORT_raw_data_noesy.zip AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker Avance III NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:FIELD_FREQUENCY_LOCK H2O+D2O NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE 4mm HR-MAS NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 4mm HRMAS rotor NM:SHIMMING_METHOD Topshim NM:PULSE_SEQUENCE noesypr1d NM:WATER_SUPPRESSION Presaturation NM:POWER_LEVEL 18 W NM:RECEIVER_GAIN 40.3 NM:OFFSET_FREQUENCY 2819.74 NM:PRESATURATION_POWER_LEVEL 3.98E-05 NM:TEMPERATURE 4C NM:NUMBER_OF_SCANS 128 NM:DUMMY_SCANS 8 NM:ACQUISITION_TIME 1.3598 sec NM:RELAXATION_DELAY 2 sec NM:SPECTRAL_WIDTH 10.0155 ppm NM:NUM_DATA_POINTS_ACQUIRED 16344 NM:REAL_DATA_POINTS 32768 NM:LINE_BROADENING 2 #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS Area under the curve NMR_METABOLITE_DATA_START Samples 717_LV 3843_RV 717_RV 3843_LV 3843_S 717_S 753_S 767_S 753_LV 767_LV 802_S 753_RV 767_RV 802_RV 802_LV 1576_S 1610-16_LV 1577_RV 1576_LV 1610-16_RV 1576_RV 1610-16_S 1577_LV 1577_S 706_RV 706_LV 706_S 729_S 729_RV 729_LV 734_RV 734_S 734_LV 770_S 770_LV 770_RV Factors Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Cortisol | Heart Area:Septum Treatment:Cortisol | Heart Area:Septum Treatment:Control | Heart Area:Septum Treatment:Control | Heart Area:Septum Treatment:Control | Heart Area:Left_ventricle Treatment:Control | Heart Area:Left_ventricle Treatment:Cortisol | Heart Area:Septum Treatment:Control | Heart Area:Right_ventricle Treatment:Control | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Cortisol | Heart Area:Septum Treatment:Control | Heart Area:Left_ventricle Treatment:Control | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Control | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Control | Heart Area:Septum Treatment:Control | Heart Area:Left_ventricle Treatment:Control | Heart Area:Septum Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Cortisol | Heart Area:Septum Treatment:Cortisol | Heart Area:Septum Treatment:Cortisol | Heart Area:Right_ventricle Treatment:Cortisol | Heart Area:Left_ventricle Treatment:Control | Heart Area:Right_ventricle Treatment:Control | Heart Area:Septum Treatment:Control | Heart Area:Left_ventricle Treatment:Control | Heart Area:Septum Treatment:Control | Heart Area:Left_ventricle Treatment:Control | Heart Area:Right_ventricle 2-Hydroxybutyrate 0.221085912 1.103881091 0.046581911 0.72055307 1.346920958 0.044490718 0.785802783 0.109778116 0.604392538 0.339052711 0.40976999 1.172995857 0.148127672 0.33038002 0.265838161 0.359757794 0.937831157 0.295442014 0.355178177 0.355232055 0.445531324 0.282505943 0.326551082 0.580459408 0.490297978 0.529375483 0.361158836 0.930576362 0.80630146 0.701216635 0.348864789 0.19863292 0.898808133 0.309529006 0.455387363 0.298113106 Lipid_CH3 17.87278281 16.35063729 18.06339631 15.83680958 14.03565009 18.99068036 13.23871007 14.89285724 22.94372718 38.40218761 15.00193132 10.67100303 19.28845702 14.7794889 14.48404413 16.97683017 10.60990198 19.37767968 16.97683017 16.53251711 15.8917709 14.95637499 32.52622825 23.69297283 44.43436024 33.41284801 18.17297605 23.920848 14.7400913 16.97956977 14.52001098 18.12417163 16.63517629 18.13706337 20.53676767 19.21904823 Isoleucine 0.099603102 0.661236826 0.112640515 0.654713472 1.046013302 0.115892052 0.648068171 0.20505029 0.414149923 0.199469411 0.295800671 0.747444472 0.10799596 0.371478607 0.279027483 0.358181186 0.479749903 0.333955744 0.509484617 0.33773737 0.44375727 0.207280871 0.350425973 0.225651511 0.496953089 0.292565936 0.183603957 0.697132172 0.530212054 0.458184764 0.339708152 0.275767455 0.58574506 0.309288368 0.344119021 0.232791059 Valine 0.380039462 0.105487363 0.389832673 0.139611224 0.111069226 0.351105379 0.029062997 0.116448296 0.057151193 0.058837919 0.298152215 0.044644148 0.054673086 0.249450474 0.299308366 0.20672034 0.078275243 0.112279917 0.200953357 0.079966145 0.178575967 0.051601544 0.114108928 0.099124102 0.092343608 0.062377629 0.095619299 0.08548836 0.086249361 0.061042758 0.10970584 0.080174718 0.086853528 0.092862229 0.084771023 0.060658693 12-Propanediol 0.78694033 6.313194266 0.390742181 5.20169332 8.868582173 0.299760415 6.796108697 1.306551235 6.187345601 0.618630817 2.907000287 7.85320045 0.866511541 2.922038185 3.134561731 3.536048769 3.56114489 3.219513823 3.827487595 4.639670932 3.235300093 3.767175949 3.152928147 2.700388416 2.38067806 2.204062257 2.072128142 5.121741246 4.897101425 5.103886162 2.504784085 9.946923677 4.936769616 4.098987982 3.486285949 4.232505307 Ethanol 2.52973594 2.163148292 0.255217478 1.26878427 2.486898732 0.375225734 2.111720829 0.09811571 1.657907995 1.006268581 0.594456238 2.422854172 0.508312972 0.581318009 0.554405561 0.83207902 1.043965489 1.036353279 0.739636499 0.929383791 0.750018598 1.023340783 0.631511231 1.352618692 0.630912609 1.38027085 0.696907539 0.568743737 1.540635784 0.797025783 0.379930504 1.245351951 0.464762822 0.885281416 0.733392392 0.542693589 Alanine 3.717411619 2.434126118 5.381883739 1.939139678 2.088876284 4.727919805 2.299983988 2.679542669 2.299983988 3.235437482 2.299983988 2.940776898 1.860354757 3.293449163 1.895839981 3.463545657 2.809063631 1.409579878 3.751733216 3.260842421 3.966263735 3.260842421 1.533707799 1.402085363 1.582852117 1.492068952 2.157583996 1.648308406 2.226377271 2.178803812 3.236200947 2.492737304 3.597707897 2.259404888 2.204558509 2.060640239 Lipid_Beta_CH2 5.343244334 5.000381903 6.105193132 4.479502199 3.08393588 8.004108618 2.559566095 2.342685545 7.708699152 14.39751611 3.877809438 2.15508507 5.335093133 2.723566511 3.118367512 5.251906995 1.261056049 7.199097936 5.488330407 1.572576917 3.960557271 1.894189933 9.628931022 8.039566099 15.08770455 10.68085692 4.645509602 4.786819287 2.413998187 2.627367095 3.194252352 2.876862469 3.821380668 4.447056178 5.812694674 4.601150564 Lipid_Alpha_CH2 3.972709784 3.805272691 5.644009327 3.915656456 2.740525419 6.800339756 2.482451812 2.003392386 7.813977276 15.32786566 3.684313106 1.667225263 5.710847671 2.7831299 3.12108424 4.3140384 0.941654137 6.678692929 4.197844433 1.973297141 3.563376321 2.694374212 10.95395643 8.825675383 17.60073029 12.6139157 4.618538571 5.666160537 2.550378682 3.383468964 3.136361971 2.795717302 3.562074735 4.255091185 5.36823606 4.221678224 Glutamate 1.35697957 2.407235061 1.452339846 1.713529937 2.023279386 1.22351387 2.696662347 3.786515274 2.331446737 2.433639179 3.327997865 3.139496263 2.337240639 3.822677214 3.081757034 2.07904007 2.852813096 2.611793982 2.04889773 4.094749302 2.313241274 3.474917517 1.832997233 2.313241274 3.202753941 2.592662704 3.549606503 2.43440298 2.716808665 2.670385813 3.144901219 2.43440298 3.175322255 3.583368577 2.852472418 3.37613626 Succinate 0.424955014 0.218135015 0.317900127 0.312372336 0.223697354 0.389876574 0.19510967 0.219263091 0.159177797 0.236442713 0.433986675 0.107302713 0.312731515 0.350778304 0.528821659 0.464383289 0.110739694 0.393211775 0.447126754 0.104896046 0.704739944 0.382884047 0.198575271 0.272453448 0.248192379 0.258522438 0.336383679 0.129016658 0.178269276 0.147662588 0.25582764 0.183376725 0.226956448 0.264246005 0.306049925 0.289558682 Glutamine 3.038749036 2.479940249 2.190535698 2.644442836 2.379038662 1.915631376 1.55325201 2.144017729 1.307280253 1.763178951 2.977303251 2.019105178 1.867138946 3.280192102 3.018887249 2.407411248 1.705949616 2.27621782 2.374612891 1.413115541 2.748090954 0.952762977 2.962749734 2.217674517 2.103834335 2.040233335 2.350538214 1.149479329 1.531525336 1.332522207 1.928531579 0.972026538 1.677527632 1.866630605 2.209936003 2.402539032 Glutathione 0.602340189 0.531671353 0.548546322 0.517121598 0.566117873 0.50569175 0.499565332 0.773398302 0.422357206 0.593051668 0.626052288 0.55593291 0.496520687 0.559245928 0.579253595 0.570424297 0.605164225 0.506577944 0.501873875 0.515018713 0.534356608 0.293642959 0.67549764 0.636556297 0.606146868 0.530042722 0.690364735 0.406973184 0.503101639 0.396632361 0.617272574 0.532004928 0.722829427 0.47906462 0.490867287 0.426379398 Dimethylamine 0.204139858 0.152964912 0.210979621 0.138198694 0.123933815 0.232156405 0.294848662 0.203498558 0.276157431 0.134613032 0.190708666 0.368670253 0.156232996 0.206229847 0.251367417 0.170276552 0.261586863 0.259045365 0.152679337 0.442989885 0.197295668 0.443202482 0.253933379 0.236355492 0.142919866 0.156416755 0.236284006 0.193656482 0.259478932 0.305238684 0.324707811 0.439330922 0.287157601 0.415779854 0.305421321 0.381809334 Creatine 14.44714428 13.02619828 12.76372453 15.70947306 14.25264935 14.80214475 13.4546082 13.75072139 12.47777501 10.04522211 12.43608091 13.4426956 13.80262629 13.4546082 16.81991766 13.37496676 14.02026092 10.53516534 13.44849733 14.7010526 14.71373028 15.11180959 14.02026092 15.78499466 10.17731956 13.18953626 11.54388251 10.70358886 12.49558588 13.1262782 14.38860697 15.28649378 13.14044045 13.77207691 12.40400332 12.20006688 Ethanolamine 0.71845758 0.556258714 0.681620273 0.593505728 0.603939627 0.70008445 0.635280451 0.766783669 0.573599889 0.484875275 0.66405726 0.729221968 0.651955908 0.598864605 0.69860061 0.560519142 0.692062482 0.595795669 0.541762355 0.7743416 0.645748213 0.721279313 0.714322339 0.56392388 0.473452164 0.515715826 0.685380483 0.614036654 0.592549743 0.628485691 0.52842588 0.515169549 0.578983854 0.666297192 0.797449292 0.628485691 Choline 2.013611842 1.587518889 2.034138058 1.979430472 1.890019662 2.098065048 1.83825287 2.604106495 1.405228344 2.060485633 1.693102402 1.891759771 2.625255011 1.836519385 1.90296964 2.221392354 2.033110346 1.019136802 2.474012499 2.379815157 2.636040942 2.707026977 1.368883872 1.303644325 1.269449502 1.563687603 1.450532484 2.913721244 2.412046586 2.791868575 1.510110698 1.800608853 1.530375989 2.861883849 3.390346959 2.962601473 Glycerophosphocholine 7.907618046 9.209097778 6.699506496 9.748558378 10.50188797 6.480406045 12.46889548 9.820724263 9.67026253 9.344299369 6.478931162 13.22120415 11.12524761 9.537574508 7.94822464 6.876286868 10.79099502 11.22792131 6.225007134 15.48254514 7.123950532 12.45326163 10.80505453 9.442039175 7.422511382 7.896534454 8.415423907 12.76560085 13.69750928 17.31874052 10.42563286 14.02203686 9.494965788 11.4550769 10.41321924 12.7478671 Scyllo-inositol 0.777718897 0.729023816 0.623957217 1.020876657 0.79950939 0.76069309 0.769767414 0.600446239 0.863044668 0.451031608 0.966529419 0.774759457 0.550479583 1.013753533 1.242863671 0.901009236 0.871621974 0.493573776 1.161076544 0.949807151 0.884599318 0.819092519 0.731838702 0.441298996 0.668702904 0.736784959 0.734857908 0.675320522 0.809006996 0.820516357 0.933439393 1.101156306 1.040358925 0.630214837 0.625958385 0.522437661 Taurine 7.463291573 8.225368534 9.09213179 6.092552605 7.43874875 9.261521891 9.076364047 14.50179046 6.59047941 10.2822373 5.602807016 11.17309874 8.3943735 7.076339989 5.241045041 11.72547609 3.26967887 13.11627343 8.666849623 5.657464895 11.90339792 7.816333197 7.625129887 10.27954805 8.800652301 9.158174295 13.19720896 4.154383573 4.835603088 5.082370016 12.19139946 17.75146442 9.512661904 11.58898472 8.291054052 10.07991347 Myoinositol 8.612126542 7.843566502 5.799768944 9.892739949 9.389710395 7.386903986 9.704169461 6.729959873 10.440152 4.673496885 9.479261598 8.370562096 7.994169598 9.753176622 12.39868818 9.163719011 9.322145079 4.925194835 11.24149399 9.289092158 9.502226508 11.4967993 8.269010643 6.012635922 5.362786019 7.569012204 7.362808486 8.37145954 9.009462291 9.447309199 8.645533849 12.84112672 11.80530823 7.139325127 7.12377345 6.493354541 Betaine 1.546200555 2.418334719 1.224783263 2.484849762 2.418334719 1.526393084 2.766686605 3.097526408 2.358585502 2.106852045 1.525662568 2.684466745 2.798628963 2.350282796 1.662311284 2.264356917 2.541517331 1.58479801 2.050527125 2.931463175 2.20980245 4.043781324 1.32708745 2.010322854 1.077066241 1.41144056 1.709071588 2.513393278 3.25457325 3.878811301 1.972450397 2.775042177 2.113092087 3.519681969 3.169807656 2.998027586 Lactate 10.56369848 6.409004805 11.1566203 4.757958147 5.928387439 9.638022749 5.162285138 7.621608846 5.300684425 6.748890671 5.182351819 5.420962892 5.443826746 7.229639688 6.758133506 7.507648425 5.865857573 3.642865651 5.968913708 7.517598673 6.308998956 7.266532604 6.136824136 5.859105619 5.741621146 4.728026606 4.959160089 5.598977369 5.415554927 5.164929241 5.741621146 7.950112177 7.149137605 5.166152601 4.353678446 4.404488664 Lipid_CO2CH 0.678240844 0.837899274 1.063591357 0.825207166 0.720779162 1.283404788 0.7729293 0.846254432 1.309410464 2.282748391 0.715510225 0.605407142 0.9956483 1.04983659 0.891323021 0.875060647 0.724923851 1.461192057 1.212370182 0.758634018 0.806527644 0.57438356 2.055307776 1.126046721 2.277186234 1.945861505 1.115718625 0.978032866 0.858330002 1.014017931 0.759048228 0.71005303 0.941016627 0.932044453 0.877334433 1.193008454 Lipid_CHCH 4.781864024 4.86885236 6.592371516 4.341993311 3.108821835 8.082035356 2.811762499 2.941122202 7.021841279 12.9306587 4.542493328 2.120453116 5.924926632 2.953362691 3.599141167 4.50352757 2.035020418 6.58417462 4.424555052 2.034112688 3.654540581 2.599887888 11.51535352 8.537220755 15.83841923 11.68707662 5.108366938 5.001023514 3.464077452 3.902122597 4.415198605 2.826588956 3.618520541 4.178696215 5.049309799 4.157428342 Adenosine-5-monophosphate 0.174941327 0.35249349 0.145825892 0.293521254 0.339254825 0.099012047 0.198493482 0.349108034 0.161720618 0.233939347 0.456950183 0.306886991 0.229528472 0.234210354 0.233939347 0.150699599 0.464367009 0.212024871 0.215935468 0.358119247 0.192284256 0.207472383 0.196165227 0.191267105 0.290334347 0.245428795 0.405900672 0.165987176 0.307924922 0.268690333 0.22291825 0.161384934 0.264723547 0.188372555 0.156830834 0.178224516 Inosine 0.503213143 0.689714151 0.226484672 0.551813626 0.384708224 0.359623241 0.601147681 0.569758719 0.345182433 0.29359354 0.411680088 0.372563235 0.344028719 0.525121945 0.685388653 0.342584775 0.828002949 0.469921497 0.517304346 0.414857982 0.495361366 0.341036153 0.606050397 0.46156643 0.475238884 0.462424408 0.555434139 0.628745068 0.493225521 0.416570522 0.72113949 0.26287707 0.843559201 0.489185885 0.473473215 0.500475465 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID 2-Hydroxybutyrate Lipid_CH3 Isoleucine C00407 Valine C00183 12-Propanediol C00583 Ethanol C00469 Alanine C00041 Lipid_Beta_CH2 Lipid_Alpha_CH2 Glutamate C00025 Succinate C00042 Glutamine C00064 Glutathione C00051 Dimethylamine C00543 Creatine C00300 Ethanolamine C00189 Choline C00114 Glycerophosphocholine C00670 Scyllo-inositol C06153 Taurine C00245 Myoinositol C00137 Betaine C00719 Lactate C00186 Lipid_CO2CH Lipid_CHCH Adenosine-5-monophosphate C00020 Inosine C00294 METABOLITES_END #END