#METABOLOMICS WORKBENCH hormel101_20161214_134626_mwtab.txt DATATRACK_ID:799 STUDY_ID:ST000524 ANALYSIS_ID:AN000802 PROJECT_ID:PR000387 VERSION 1 CREATED_ON January 5, 2017, 1:04 pm #PROJECT PR:PROJECT_TITLE Mayo Metabolomics Pilot and Feasibility Award: Effects of Curcumin PR:PROJECT_TITLE Supplementation on the Plasma Metabolome of Older Adults: Relation to Vascular PR:PROJECT_TITLE Function PR:PROJECT_SUMMARY Age is the major risk factor for cardiovascular diseases (CVD). Two key PR:PROJECT_SUMMARY contributors to the increased risk of CVD in middle-aged and older (MA/O) adults PR:PROJECT_SUMMARY are stiffening of the large elastic arteries and the development of vascular PR:PROJECT_SUMMARY endothelial dysfunction, indicated by impaired nitric oxide (NO)-induced PR:PROJECT_SUMMARY endothelium-dependent dilation (EDD). The mechanisms by which aging causes PR:PROJECT_SUMMARY arterial dysfunction are incompletely understood, but involve reductions in NO PR:PROJECT_SUMMARY bioavailability associated with the development of oxidative stress and PR:PROJECT_SUMMARY inflammation. Thus, establishing novel strategies to reduce arterial stiffness PR:PROJECT_SUMMARY and increase vascular endothelial function in MA/O adults by increasing NO PR:PROJECT_SUMMARY bioavailability and reducing oxidative stress and inflammation are a high PR:PROJECT_SUMMARY biomedical research priority. Curcumin is a naturally occurring phenol found in PR:PROJECT_SUMMARY the Indian spice turmeric that improves physiological function in animal models PR:PROJECT_SUMMARY of age-related diseases and is a promising nutraceutical for intervention for PR:PROJECT_SUMMARY promoting healthy aging. Our preclinical results indicate that chow supplemented PR:PROJECT_SUMMARY with curcumin reduces aortic pulse wave velocity (PWV), the most common and PR:PROJECT_SUMMARY clinically important measure of large elastic artery stiffness, restores PR:PROJECT_SUMMARY NO-mediated EDD and reduces arterial oxidative stress and inflammation in old PR:PROJECT_SUMMARY C57/BL6 mice. Preliminary data from our recently funded NIH R21 pilot grant PR:PROJECT_SUMMARY indicate that curcumin supplementation improves vascular function in humans. It PR:PROJECT_SUMMARY is possible that changes in the circulating (plasma) metabolome with oral PR:PROJECT_SUMMARY curcumin supplementation will provide insight into novel metabolic mechanisms by PR:PROJECT_SUMMARY which curcumin may improve vascular function. The goal of this project is to PR:PROJECT_SUMMARY identify key metabolic pathways that change with oral curcumin supplementation PR:PROJECT_SUMMARY and to relate those changes with improvements in vascular function in MA/O PR:PROJECT_SUMMARY adults with initial endothelial dysfunction. Metabolomic analysis of plasma PR:PROJECT_SUMMARY samples at baseline also may produce unique molecular signatures that predict PR:PROJECT_SUMMARY responsiveness (changes in vascular function) to curcumin supplementation among PR:PROJECT_SUMMARY individuals. PR:INSTITUTE Mayo Clinic PR:LAST_NAME Seals PR:FIRST_NAME Douglas PR:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 PR:EMAIL seals@colorado.edu PR:PHONE 303-492-5305 #STUDY ST:STUDY_TITLE Effects of Curcumin Supplementation on the Amino Acid Concentration of Older ST:STUDY_TITLE Adults: Relation to Vascular Function ST:STUDY_SUMMARY Perform amino acid concentrations metabolite analysis related to nitric oxide ST:STUDY_SUMMARY biology, oxidative stress and inflammation in plasma before and after 12 weeks ST:STUDY_SUMMARY of oral curcumin (2000 mg/d) or placebo (double-blind, randomized) in men and ST:STUDY_SUMMARY women aged 45-79 years who are free from clinical cardiovascular disease. ST:INSTITUTE Mayo Clinic ST:LAST_NAME Seals ST:FIRST_NAME Douglas ST:ADDRESS Department of Integrative Physiology University of Colorado Boulder, CO 80309 ST:EMAIL seals@colorado.edu ST:PHONE 303-492-5305 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS IF131 ms5535-1 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU02 ms5535-2 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU02 ms5535-3 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU06 ms5535-4 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU06 ms5535-5 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS IF145 ms5535-6 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU10 ms5535-7 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU10 ms5535-8 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU11 ms5535-9 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU11 ms5535-10 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS IF119 ms5535-11 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU14 ms5535-12 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU14 ms5535-13 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU20 ms5535-14 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU20 ms5535-15 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9758 ms5535-16 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU22 ms5535-17 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU22 ms5535-18 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU23 ms5535-19 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU23 ms5535-20 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU24 ms5535-21 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU24 ms5535-22 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9737 ms5535-23 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU28 ms5535-24 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU28 ms5535-25 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU31 ms5535-26 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU31 ms5535-27 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU33 ms5535-28 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU33 ms5535-29 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 6218 ms5535-30 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU34 ms5535-31 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU34 ms5535-32 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU36 ms5535-33 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU36 ms5535-34 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU40 ms5535-35 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU40 ms5535-36 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS EC96 ms5535-37 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS 9732 ms5590-1 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU46 ms5590-2 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU46 ms5590-3 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU48 ms5590-4 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU48 ms5590-5 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9735 ms5590-6 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU49 ms5590-7 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU49 ms5590-8 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU51 ms5590-9 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU51 ms5590-10 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS 9760 ms5590-11 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU52 ms5590-12 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU52 ms5590-13 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU54 ms5590-14 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU54 ms5590-15 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9727 ms5590-16 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU56 ms5590-17 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU56 ms5590-18 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU57 ms5590-19 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU57 ms5590-20 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU58 ms5590-21 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU58 ms5590-22 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS IF152 ms5590-23 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU60 ms5590-24 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU60 ms5590-25 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU63 ms5590-26 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU63 ms5590-27 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS CU65 ms5590-28 group:Old-Curcumin | Time point:Pre SUBJECT_SAMPLE_FACTORS CU65 ms5590-29 group:Old-Curcumin | Time point:Post SUBJECT_SAMPLE_FACTORS 9759 ms5590-30 group:young | Time point:Baseline SUBJECT_SAMPLE_FACTORS CU66 ms5590-31 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU66 ms5590-32 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU71 ms5590-33 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU71 ms5590-34 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS CU75 ms5590-35 group:Old-Placebo | Time point:Pre SUBJECT_SAMPLE_FACTORS CU75 ms5590-36 group:Old-Placebo | Time point:Post SUBJECT_SAMPLE_FACTORS IF182 ms5590-37 group:young | Time point:Baseline #COLLECTION CO:COLLECTION_SUMMARY Healthy men & women aged 45-79 without clinical CVD, but with below normal CO:COLLECTION_SUMMARY baseline endothelial dysfunction (FMDBA < 7%). #TREATMENT TR:TREATMENT_SUMMARY "A 12-week randomized, double-blind, placebo controlled study will be conducted. TR:TREATMENT_SUMMARY After CTRC screening for inclusion/exclusion criteria, qualified subjects will TR:TREATMENT_SUMMARY be randomly assigned to 1 of 2 groups. The investigators involved in the TR:TREATMENT_SUMMARY acquisition and analysis of key outcomes will be blinded to the curcumin intake TR:TREATMENT_SUMMARY status of the subjects. With the assistance of dietary monitoring from the TR:TREATMENT_SUMMARY UC-Boulder CTRC bionutritionists, subjects will maintain their baseline diet TR:TREATMENT_SUMMARY with either unchanged (control) or enhanced curcumin intake delivered as TR:TREATMENT_SUMMARY capsules (Longvida®, Verdure Sciences): Group 1 = placebo (inert substances); TR:TREATMENT_SUMMARY Group 2 = curcumin (2000mg curcumin/day). Extensive published work has TR:TREATMENT_SUMMARY established that the curcumin dose of 2000 mg/day is well tolerated and safe. TR:TREATMENT_SUMMARY Sessions 1 & 2: Screening measurements. Session 3: Baseline measurements and TR:TREATMENT_SUMMARY blood draw. Sessions 4-8 (every other week to assess adherence and overall TR:TREATMENT_SUMMARY subject well-being): Body weight, BP, adherence, discuss any problems. Session TR:TREATMENT_SUMMARY 9: Identical to session 3 (stop intake of capsules after completion of TR:TREATMENT_SUMMARY post-testing)." #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Venous blood sampling. All blood samples are handled in a similar time frame and SP:SAMPLEPREP_SUMMARY immediately spun to extract plasma and stored in our -80 freezer until ready for SP:SAMPLEPREP_SUMMARY analysis. Amino Acid concentrations were measured. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Quantum Ultra MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples ms5535-1 ms5535-2 ms5535-3 ms5535-4 ms5535-5 ms5535-6 ms5535-7 ms5535-8 ms5535-9 ms5535-10 ms5535-11 ms5535-12 ms5535-13 ms5535-14 ms5535-15 ms5535-16 ms5535-17 ms5535-18 ms5535-19 ms5535-20 ms5535-21 ms5535-22 ms5535-23 ms5535-24 ms5535-25 ms5535-26 ms5535-27 ms5535-28 ms5535-29 ms5535-30 ms5535-31 ms5535-32 ms5535-33 ms5535-34 ms5535-35 ms5535-36 ms5535-37 ms5590-1 ms5590-2 ms5590-3 ms5590-4 ms5590-5 ms5590-6 ms5590-7 ms5590-8 ms5590-9 ms5590-10 ms5590-11 ms5590-12 ms5590-13 ms5590-14 ms5590-15 ms5590-16 ms5590-17 ms5590-18 ms5590-19 ms5590-20 ms5590-21 ms5590-22 ms5590-23 ms5590-24 ms5590-25 ms5590-26 ms5590-27 ms5590-28 ms5590-29 ms5590-30 ms5590-31 ms5590-32 ms5590-33 ms5590-34 ms5590-35 ms5590-36 ms5590-37 Factors group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:Old-Curcumin | Time point:Pre group:Old-Curcumin | Time point:Post group:young | Time point:Baseline group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:Old-Placebo | Time point:Pre group:Old-Placebo | Time point:Post group:young | Time point:Baseline Histidine 34.95589022 26.40936661 26.87379921 25.03555391 21.47763085 34.01941869 23.35378058 34.71122364 26.59953775 27.57445794 22.47384224 25.02662889 28.26169001 27.67923532 23.06761669 29.80974087 25.57051395 30.61124847 25.23374869 28.11645297 26.27553333 27.77642734 23.39172013 22.52452979 19.28566386 28.41941475 18.99094423 18.79931928 18.48454262 22.69892358 23.62921627 24.07354997 14.72518053 16.44911594 18.95931619 17.1856014 18.85571546 44.63917645 49.90437026 82.89365326 40.65895342 54.39107423 57.14160472 51.49824911 60.16954655 44.28714021 52.45740488 50.25415645 72.65791229 47.3254513 44.09857523 49.94631169 55.83898474 36.06706043 34.79343729 53.32206172 64.14131754 30.45953688 25.30690615 20.76468838 16.51958619 26.25008548 13.85291087 16.15873622 17.49611937 20.13067235 23.78822698 16.22295484 14.49811372 28.6563866 22.79006457 22.75646636 23.49124706 27.05950557 Hydroxyproline 7.996587409 9.603672773 9.305347808 7.485788697 4.954254861 7.663148326 7.080589697 6.528376832 4.879274747 5.989300476 11.89335088 6.474281533 6.03615043 4.627864257 4.149259588 13.60743141 4.91895823 4.291906618 11.39220116 6.60677606 9.50129139 6.130205372 11.72328389 5.807542961 5.294885124 5.808507841 4.834692479 7.474586002 7.957130928 7.199450317 4.044650713 4.618105481 5.146510581 8.044886686 6.981535679 5.565928571 11.86142375 7.968287625 12.0709649 10.18048052 5.812467675 6.998472785 6.750967508 10.09014043 15.31901317 9.600334731 14.63242904 10.82442146 12.7220318 9.094864914 11.69435334 10.09903665 11.67186909 8.948342644 8.72220787 9.390075995 12.55401389 8.412705475 9.81149547 12.61700779 6.185118998 6.553141479 9.400966868 8.832050947 7.358940951 6.858642103 12.20755556 31.63361518 20.38149709 4.042532153 3.591692412 6.938470046 10.06991516 9.64393546 1-Methylhistidine 0 29.41445938 0 0 0 23.40247777 60.65673592 50.72597461 2.419540786 5.343346607 0 18.35671199 0 0 0 0 2.508978037 0 24.85048607 2.767947215 0 5.186568003 2.382241842 4.225571868 6.313219812 0 13.28435594 0 0 0 35.67781362 32.06453046 12.31602264 3.949209619 37.03174905 18.64610382 0 0 42.64256934 20.25730742 0 0 45.57560124 17.89127908 15.66803487 25.50247109 11.93144259 0 20.28805091 37.44420254 9.808525319 38.24380902 22.98507758 77.46189564 75.68028397 18.12100027 20.60643859 28.8585421 37.96071846 28.56754025 31.01710645 18.52154307 47.36637546 34.59734216 52.5648391 75.69099594 0 8.625930598 49.26729895 9.855959344 0 0 0 10.58435794 3-Methylhistidine 1.069058395 5.010597888 3.491900509 3.167323834 2.574879451 2.550467716 3.102649683 3.721118784 2.420383694 1.621484531 1.830564643 2.208926838 1.139334158 1.018470713 2.760523432 2.015301328 1.697963855 1.010489802 3.796551448 2.289555813 3.070954207 5.346089387 1.113767094 1.776406901 5.257694058 3.531665367 1.832164493 2.160753972 1.851281921 0.834798636 1.607087185 2.356690878 2.348755013 1.785638121 3.726423375 3.744395239 1.329909922 0.798601255 2.276684964 7.330309595 1.695240217 1.125039148 1.04655614 1.055594812 1.866894179 3.559096796 4.264537859 2.898589009 3.163647261 1.912182258 1.57541772 1.714441439 1.389979423 4.986821368 4.896830783 2.677476026 3.322446275 1.968144151 2.720817798 1.189395929 2.304244249 1.879602736 2.401442583 2.229471013 3.665152841 5.187194905 1.025431329 2.431247671 3.458297643 1.008423819 1.033377028 2.373754717 1.655190219 1.694386477 Phosphoethanolamine 7.62594752 4.702446334 17.07197467 2.791949927 2.938429401 3.737671388 2.058551752 2.619635966 2.771697731 3.209731893 3.773124932 3.359855133 12.52972585 6.001280975 4.504144371 1.648637415 1.353415209 0.665016055 3.224294496 3.113458293 0.48643119 8.392546972 3.579460523 0.890953727 0.990228949 1.296264205 1.226267022 1.662300116 1.135757469 0.61795948 2.297657115 1.134346851 0.934940521 1.14098203 2.011119709 16.40624413 0.666190903 0 1.558250471 0.607109522 1.852561082 0.924884184 2.664369888 0.664041668 1.304602188 1.832064298 0.844800905 0.869041713 9.204643908 0.877319536 2.2209761 1.659396611 4.279586351 0.856936407 0.495142754 5.90638656 0.490026109 0.488722509 0.513468956 1.182738357 0.513206428 0.170703274 0.286947034 0.447557341 1.493398391 0.997367497 3.014410251 1.018661475 1.444849272 1.11854107 1.004603158 0.817029644 1.577325109 1.510139989 Carnosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Anserine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ethanolamine 7.016510766 4.796964184 5.658050125 4.417033557 5.201979312 4.020372139 5.706909834 5.390996159 4.67565431 5.115187287 5.696177766 4.914531035 4.368794361 5.517051706 4.133615525 6.319174315 5.395824287 5.902377912 5.625622785 5.881913957 5.460580298 4.91162292 5.608749854 6.263481099 6.188072252 7.081155487 5.906380434 6.088412855 5.580740219 7.38850984 5.004260469 4.577768393 4.787776245 3.966685015 4.023919202 4.034580304 4.254838968 1.97515271 5.222534616 6.200382518 7.110119789 5.891097459 6.309619353 5.009800458 5.318342166 6.402207684 5.400346859 5.156804639 6.096579538 5.540415832 5.644692799 5.863121427 4.504865221 6.371683359 7.068078042 5.93064058 7.132524327 4.719481432 5.577919131 5.013922039 4.339894535 3.822236402 5.714323224 4.839882114 5.138207006 5.099993841 5.945771337 6.779195879 4.898895418 5.193703796 4.82917704 6.594897394 6.282851137 4.262739323 Aspartic Acid 3.925745245 4.882689062 10.20955633 3.918382901 5.109650783 3.758202842 2.704962659 3.109339526 2.317479071 2.783911628 2.50105533 3.204120179 8.403903736 3.15576621 2.610681462 1.776078051 1.098750921 1.655488475 2.574587533 2.712383904 1.487826838 4.679431105 13.89293648 1.377682095 1.637128806 1.723285038 1.645984001 1.708098705 1.296600578 5.411512371 3.774906961 3.036153507 1.966656983 2.127023437 2.020868607 7.05950172 13.79598746 1.039534346 2.638905896 1.742741519 1.797987102 1.357679297 2.149675731 2.338672897 1.76878583 3.312531013 2.722882774 1.871289526 6.393957012 1.455494925 2.322662751 1.65204364 5.129824593 1.358857838 1.02505349 10.20477441 1.114034169 2.026137886 1.482077317 2.14283572 1.058305215 1.657342484 1.032994594 1.214269959 1.991758507 1.932053243 4.993386326 0.813385969 1.452452945 2.016890822 1.96119296 1.744462643 1.884171813 3.271414552 Sarcosine 9.437756172 9.03290067 9.801518551 9.107300379 10.85760394 7.317592483 8.131508522 8.258114782 7.781714388 8.426842214 6.147001405 9.335664555 9.965192441 9.006200375 7.769080945 15.12210018 9.135688986 11.49033588 9.268380134 9.306611835 12.96584784 9.298384972 12.11694712 7.637187255 8.234781771 9.964202698 9.293676211 8.66746437 7.961484308 5.044846309 8.997811704 8.675079942 8.962354104 8.712657224 9.296309878 9.59413477 7.085080542 5.804833309 7.349551533 10.82970115 8.067060083 8.562614285 15.13311102 9.908387643 8.248844887 9.184200238 9.059548984 16.59820578 8.400156128 9.676648734 9.248547014 9.142172542 3.245703253 8.290447634 9.262724606 10.78895473 8.350592043 9.992044677 8.367519953 7.713480858 9.273850873 9.914007909 6.9614463 10.40581578 8.29504174 8.819377799 14.61573303 8.146835301 8.083253168 9.00702792 8.043817708 9.706574632 11.34519269 8.605266373 beta-Alanine 10.99447282 10.0091247 11.53565846 10.43009916 11.66774704 8.011093876 9.127252477 9.346899163 9.266558525 9.410868043 6.614833789 11.22103476 11.58178427 10.1082124 8.647563567 20.6070596 10.14331642 13.88660846 10.29637018 10.02042227 16.04459122 10.36918573 12.68986378 8.667020326 9.267481557 11.65535609 9.71895901 9.664338225 8.403720449 6.21858556 11.25792755 10.36403118 10.29719351 9.89052141 10.36172038 10.40899668 7.731135997 10.0230449 10.28145246 16.20605889 10.08027083 11.03355839 16.98023884 12.45667753 9.42723494 10.46191424 10.99903053 21.32989948 11.13108917 12.58095135 10.49646376 10.01523141 3.735328793 9.902370351 12.04493108 15.68538063 11.57616042 12.93455717 9.977192859 9.225246931 11.62074458 12.82819018 8.542651204 12.61605992 10.16781513 10.11252734 18.22928177 9.788239224 9.500641825 10.28720423 9.007391784 12.04221261 13.8571658 11.25214277 gamma-Amino-N-butyric-acid 0.076251949 0.051844052 0.072711668 0.027511234 0.018765019 0.050122434 0.036117121 0.053519097 0.071919091 0.051610818 0.01986898 0.030691492 0.05095261 0.026408628 0.033113381 0 0 0.039759757 0.088551187 0.092849333 0.040808765 0.055629138 0.080560041 0.047948436 0.022587036 0.017183119 0.033658969 0 0.081409124 0.027561642 0.067796955 0.081622574 0.007870971 0.019468765 0.046941237 0.048781455 0.046723957 0 0.006744377 0 0.001748098 0.019214934 0.037424373 0.018625154 0.001609582 0.025106036 0.016554796 0.004308581 0.023840622 0 0.044180362 0.038683857 0.026538446 0.040267011 0.045835144 0 0 0.033498402 0.022467461 0 0.021963896 0 0.023152689 0.020536227 0.045372061 0.042404543 0.003931353 0.006315322 0.014276195 0 0.00685812 0.008089171 0 0 alpha-Aminoadipic-acid 0.568498725 0.967182254 1.357345495 0.85848893 1.114061177 0.673683311 0.754208976 0.792857347 0.770492762 0.775728789 0.438364966 0.133559528 0.443250183 0.2205782 0.17237019 0.604532095 0.343683669 0.195176937 0.589356041 0.367466729 0.70659753 0.785079564 0.449239583 0.373992396 0.523423387 0.481211976 0.477218139 0.863752418 0.82177569 0.112210701 1.022643219 1.355311574 0.413523737 0.328662142 0.568744131 0.378173303 0.592158734 -0.055036123 0.795119027 0.752433356 0.238020577 0.157088941 0.561424249 0.954858919 0.848814262 0.819445484 0.964674955 0.251672396 0.403617128 0.385371447 0.749627532 0.76248379 0.915084298 0.722223046 0.879843118 0.785602698 0.6201202 0.827897403 0.76512038 0.425095185 0.32769193 0.165684296 0.558754401 0.303630501 0.784037724 0.945666446 0.282936138 0.530944529 0.833262959 0.480205297 0.378180068 0.529700599 0.408951518 1.166482316 beta-Aminoisobutyric-acid 1.771008249 1.680316424 1.267502845 1.615035182 1.666178082 2.514270439 2.542604847 2.531338041 0.87901267 0.654389682 1.522817222 1.838249386 0.941680584 2.947073226 2.130440136 0.333995302 1.301628722 1.366913732 2.381952437 2.296925948 1.749850219 1.664104821 0.722085376 1.584484116 1.408031816 2.759294557 2.776882549 1.683809968 1.710899229 0.728246626 2.40826989 2.74367727 1.28245299 0.817480923 2.50367169 1.873032783 1.483712095 0.312165976 2.750784607 3.50762993 0.886649725 0.738165191 0.859620288 4.10035706 4.73584003 3.369215427 2.152808941 0.752770083 0.734288265 0.672692834 1.28611939 1.418589747 1.506201346 1.490450431 2.151100527 1.397760223 1.280246485 1.12180434 1.505586674 0.765678757 1.285204747 1.579083251 1.651453949 1.127063628 1.891815284 2.309841829 0.859494876 3.291309331 2.953566399 1.97804701 2.084744794 1.315505 1.985852849 0.701930319 Hydroxylysine 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.015974704 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hydroxylysine 2 0.110812118 0.038358348 0.089546741 0.04036089 0.077975495 0.062699378 0.043118997 0.031270435 0.044822132 0.009698256 0.025919023 0.112810871 0.114618636 0.003498333 0 0 0.065006735 0 0.09627251 0.111588831 0.020991289 0.01001871 0 0.000763471 0 0.002241548 0 0.04457819 0.055752536 0 0.044614131 0.012997357 0.027273809 0.005538773 0 0 0.054734199 0.071066361 0.049521075 0.055310381 0.054363295 0 0.180561755 0.07712443 0.176713069 0.035735212 0.035784568 0.128226894 0.124640816 0.130093865 0.072652843 0.042329771 0.044933497 0.009319058 0 0 0 0.03310485 0.057153009 0.229626832 0.041460679 0.125386159 0.091811126 0.008177022 0.036781103 0.134495863 0.049486725 0.0254614 0.140169448 0.048258214 0.04808022 0.070275802 0.070336699 0.079305318 alpha-Amino-N-butyric-acid 12.14721269 13.96093291 12.37236694 15.49505298 24.45957032 19.59947111 29.83650033 29.09239788 23.81963906 16.19754313 15.35331537 12.02594161 11.3183606 14.91428677 15.33097527 11.72436708 19.20147626 21.64594313 30.64366877 22.59128832 24.97610855 21.91509089 19.78883083 14.98050641 10.15185689 32.77012127 22.24774691 19.62560026 17.51500721 13.41233069 18.24463658 26.51783017 20.73437913 11.23517861 18.56817288 16.50420422 13.74871436 8.608484367 19.60717155 25.96462324 17.35410372 16.47448582 23.87710759 27.97601773 29.77517548 19.53173231 19.83566254 15.00138206 17.02013534 16.00831065 22.71264413 26.11736057 26.94302685 28.91108405 25.87372149 16.49880693 18.73157167 30.87138806 32.60806059 19.4930206 20.24608155 15.20186471 24.19943284 21.16793914 18.19527532 32.26060466 13.31293116 22.15023461 23.28795927 19.18750648 13.04054822 21.19627511 25.11980328 16.35052321 Cystathionine 1 0.10623442 0.387195574 0.463008014 0.343889516 0.269728524 0.218278446 0.287478769 0.144390099 0.057537423 0 0 0.107506927 0.377051537 0.286139883 0.072704891 0.110121391 0 0.119436139 0 0.239932645 0.166701398 0.086632022 0 0.264730763 0.30926344 0 0.153432768 0.064165029 0 0 1.623803852 2.653244851 0.158842237 0.121553343 0.444779356 0 0 0 0.552198102 0.334866416 0 0 0 0.156739025 0 0 0 0.142788952 0 0.093999344 0 0 0.097131964 0.188526663 0.159896832 0.865324708 0.090002386 0 0 0 0.176726701 0.21015749 0 0.191005823 0.461142424 0.132002588 0 0.115098049 0 0.643710793 0.843183208 0.313505009 0.271650402 0 Cystathionine 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.046994565 0 0 -0.049511921 0 0 -0.049211046 0 0 0 0 0 0 0 0 -0.026891227 0 0 0 0 0 0 0 0 0 0 -0.049918532 0 -0.048420172 0 0 0 0 0 Methionine 25.88479989 18.87320937 23.55939713 20.80161175 18.89136642 19.2940168 21.27719313 24.29224064 18.80724317 18.19008638 21.3493366 18.22917685 17.97768638 19.16712201 19.22128955 30.89345133 21.16015067 22.36098328 19.46492846 19.61574477 22.27605408 21.47353833 28.95134808 20.42282249 17.24358536 20.29494471 19.56430167 22.41691806 21.1999576 26.65865702 17.21069797 18.25718579 19.7204954 17.62568908 17.03252418 16.69700848 21.56741917 14.61323546 21.92833479 24.22697772 18.73647205 20.9353807 23.61956983 16.82875506 20.53669193 23.32081756 20.77065656 26.5310407 20.17405554 18.23887774 21.09828516 21.98122566 26.38248453 20.49700163 23.82566098 25.60141249 28.06186471 23.31678899 21.48919405 22.4309947 15.66383985 16.55772459 20.55717579 19.14604427 21.58841977 23.61290193 24.80844725 25.03108966 19.92713943 22.64534249 16.51285448 25.58973184 21.56746503 21.86121837 allo-Isoleucine 1.907321237 2.61120327 2.093852322 1.873101992 1.778810233 1.21963303 2.377738007 2.277660267 2.579502517 2.270408676 1.337270918 1.124469199 1.226306712 1.95969304 2.244374808 1.850425745 1.804088207 1.969282239 2.051292919 1.647819785 2.325706537 2.161887653 1.444000468 1.99875296 1.352124662 2.653764351 2.228696873 1.630376591 1.611477624 1.242442064 2.245958208 2.476560349 1.146784721 1.37931973 1.230794446 1.1143894 0.671880318 1.179266729 2.200427947 2.778539946 1.471520825 1.578450318 1.771519868 2.464649463 1.982887057 1.511422282 1.543949854 2.648986895 1.047357144 1.158081858 0.496689779 0.665289257 1.03362311 1.552122541 1.541539971 2.029919846 1.484455652 1.569327508 1.628313234 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Homocystine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.032126437 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Asparagine 54.35096723 37.9583617 46.25119432 37.63570995 41.63371358 54.80737716 50.39604462 58.03145277 38.66057031 35.24484542 52.20194589 51.23799317 44.88847301 61.82313861 55.35931398 55.52821973 41.34077599 44.29705459 45.44965037 44.11422291 44.9646057 41.31218384 68.12836639 45.35909366 34.79231047 45.49513793 42.76936257 47.19478721 39.5780689 50.93052767 40.33293594 47.32091505 51.28054703 35.12548957 44.42271866 42.96679938 39.0968864 26.84520324 49.53468586 63.82372781 38.28478792 43.98227745 53.6787151 44.36559457 44.88222266 49.16336397 44.57628092 57.52455384 59.0919838 52.54842342 38.32513275 42.75354605 49.11109538 49.2901869 57.1585768 53.53613621 58.00194998 50.08170016 54.19470061 42.48876607 47.0139347 47.53765786 51.12616657 51.23918444 49.102582 51.50570581 50.73574649 53.90306364 43.93770186 50.59028164 40.77809373 49.59264587 50.26850686 49.48228262 Arginine 84.00108414 64.2684378 68.54701755 54.91115036 61.12350418 73.46897705 75.62028545 62.36601886 80.02880989 82.97573741 54.82769535 105.3186491 80.36831985 92.50814648 65.64209048 92.5981159 62.74649611 66.02396367 60.95369449 55.59624907 78.09467242 76.52703627 109.1018173 85.00994006 77.3201533 59.82716614 60.75053283 46.97018291 51.72789132 92.70498256 61.47542677 69.41328757 94.76486618 63.85530999 67.94538199 54.90330255 80.38952579 20.86883278 57.29092686 87.86391053 65.03335911 57.80021681 98.96181326 67.5126992 80.20437793 46.45396974 53.66241513 73.58738465 52.71770808 59.94479924 71.9472714 71.37484295 57.83913561 79.16602472 95.16162558 97.77368361 88.87761874 41.21604163 48.53395213 61.96123843 48.4853158 55.78447199 61.08785554 62.35366879 71.34404596 53.87460615 75.97275573 58.45891297 41.37150975 67.22077977 54.16751452 68.71127258 59.96666921 55.74451165 Taurine 143.1684359 116.5804158 303.4765273 93.7467446 91.82776831 76.87549848 94.16716796 94.83211862 123.5210076 105.815484 93.60899855 138.3686632 259.8026934 160.8958951 116.6584914 93.76005092 81.28932209 58.49190121 119.6481664 105.036062 69.78729089 150.5323473 107.4120058 76.04202901 77.95015501 60.87239476 46.87231024 69.58310392 52.83431216 31.67055988 108.136446 63.14464588 64.52797177 73.07042274 99.1333372 224.8756171 23.5610767 34.00852234 109.6923484 78.14545834 96.04917387 92.03486123 77.39045508 57.09822271 58.24268685 68.39388972 73.15869384 86.78500665 258.2069259 76.70837442 75.93295389 62.13427003 131.2372837 77.27793916 97.91931633 335.1608944 102.0478417 56.11698571 53.41938415 78.5604891 83.78813498 70.70848854 72.72538121 81.17175993 92.85767696 78.33725249 145.0144876 80.45575384 73.35198869 85.61124501 65.49929793 82.83937208 97.27529597 104.2710715 Serine 81.74825895 84.95063614 99.41043122 101.400371 106.6677488 80.45237722 110.9940711 126.2423426 107.6793899 91.24980404 74.88339588 88.50772796 85.70143026 122.4903823 92.86188902 108.1905094 85.80801107 102.8001723 92.30043775 98.95161145 104.5987965 95.75542602 124.8738711 91.14563984 69.58361331 100.0571531 93.86490641 108.2018986 102.6167969 110.3666205 73.03458948 80.53720479 114.1896863 86.21788423 78.79339395 85.02829939 91.84761832 36.11456036 88.25376382 94.22352762 115.2643843 105.4327629 93.53871512 118.135407 105.2971815 86.47778537 95.97981138 100.1885764 105.9342378 95.83883157 71.77606436 85.12734905 119.8976965 92.88482104 98.16852845 97.21087343 99.85389895 81.33580589 79.52368822 71.17400588 100.0074685 126.258697 88.72237492 99.76384849 99.64160477 93.74183323 131.5332825 92.98923923 78.9129826 95.29949065 89.05726083 82.83462217 83.39637405 90.18290874 Glutamine 602.9706547 562.8111183 602.1043145 549.5522896 509.5227733 534.8915618 488.6709723 534.7514916 484.2673518 498.7127357 602.3265631 602.6187265 511.523799 713.8232748 624.633516 594.8248116 646.4050315 597.7801616 534.1556514 584.6737944 563.8889404 562.5444354 634.6332041 536.0924237 574.1309551 653.6659637 614.6356261 556.758494 539.1964054 501.3301305 580.5309615 513.0092746 556.8241921 517.6242387 445.8572556 500.8747001 321.3967243 287.0274228 505.8827962 512.5177275 624.0852101 594.4075718 459.3121354 441.3258043 459.161204 472.5845391 455.8251445 583.9631116 478.5251977 467.7067071 489.3904702 478.6887843 540.6886103 449.3056309 532.4827543 460.9716023 634.2447342 459.347998 481.5363639 519.5432969 499.8737916 573.0641915 483.9822817 469.2866144 494.2243901 491.6153798 541.6787993 542.6654072 479.86305 561.3664511 530.2370394 430.8016107 433.6817093 384.4614811 Glycine 293.1984849 198.5329363 196.503256 232.7897073 237.8717225 231.8883661 302.74967 301.1794678 335.1696458 282.2313589 219.6709873 227.6725331 210.6950231 257.9528246 210.4122201 283.2255504 302.6452637 348.8171917 217.4552422 228.7803447 201.8581106 183.3011877 227.2979882 385.8757037 348.5079239 213.2580447 189.1094482 388.3309983 394.448399 335.8697789 157.48206 156.8977008 365.839881 318.8367583 208.0769421 193.1115587 217.3840219 130.3884447 202.2039767 243.1524165 478.4960046 476.0309455 233.1075995 246.8805053 243.8982642 234.651743 260.8629574 316.5816469 424.0887093 395.9448781 169.7937876 166.1117917 216.1109012 211.594166 242.4760971 223.2844371 229.058489 245.6059378 225.7706263 239.9156768 362.2225253 436.8686069 300.5290908 334.5710284 187.0384108 181.6094449 265.3038833 246.523497 234.0217372 197.290382 201.2716719 186.9218392 194.6999189 159.9567505 Citrulline 30.23424342 33.342252 41.33439856 36.58438318 30.68207539 21.64021518 30.69636519 35.76532824 31.85162565 33.5111685 22.61333861 40.99476715 40.17034876 43.72243937 37.86344456 30.8358474 26.671138 27.84649299 31.87654435 31.55249881 41.708494 36.90488776 31.85691849 51.5842122 56.97581017 23.7908532 28.31638928 34.16835454 33.50542612 44.98534608 38.51442015 37.04082867 42.30264382 39.50316043 26.92363965 24.25797748 35.2116895 26.31091783 41.09566204 36.61378464 31.92267052 38.57022891 27.03719654 44.45611904 38.85855369 33.62382851 36.50485899 37.5515541 33.20281896 36.87627634 29.09390827 30.75248837 27.62408357 49.59265552 51.70794788 52.19043719 45.23247003 33.77227916 31.97624067 37.01014817 39.09308313 34.49479377 42.26486087 41.01567207 37.87164154 45.12021787 31.80871487 45.78503237 35.51385425 42.33920258 34.95933593 30.60173445 24.52604776 25.04424053 Glutamic Acid 31.55130421 126.3860003 154.8289713 91.02703212 96.57239231 45.99260475 46.56268561 48.20877207 57.65499817 57.59664699 26.31265775 30.99769991 68.31323174 46.32920939 40.66173916 21.4400404 17.63247059 15.9516537 35.03393201 39.47945295 29.82719321 70.61737791 53.01161196 33.57610548 47.68719001 32.75960379 44.33823407 20.41108068 20.26753822 84.18153529 91.58653375 88.85048327 47.3595985 54.43007999 34.26655664 60.96633595 149.0536471 8.337141587 37.91885735 20.20970387 18.16142182 15.50987183 22.7476958 36.13476896 29.46792609 53.36409632 50.22658137 26.17309232 36.38502122 31.42687464 30.40636835 20.48425751 42.42972889 32.17142884 20.64696609 70.80251107 16.00506418 40.17837098 20.63875717 54.16314174 18.40600127 27.88469583 9.537409263 16.81613845 41.36518904 45.45549375 49.06590191 16.23849519 21.47673003 32.11647161 33.17290323 33.27895458 38.64628503 84.933676 Threonine 102.1773015 115.4035341 138.934558 96.37587728 113.6863709 165.6368294 146.9448579 151.7819164 104.5095078 121.6650816 98.29289732 111.7507576 108.848228 116.4024544 101.3165788 144.7934487 92.77031658 103.2991505 112.4807023 102.7087645 99.97506389 89.72582001 124.1360089 96.90679725 70.85960488 96.64044581 100.5220041 83.59011463 87.62233925 126.0249036 94.11207301 102.0861073 110.9950947 78.48536937 93.65457183 95.20835849 149.1001012 56.73363148 109.3541855 143.7029285 87.94342292 87.62315195 121.3375397 94.71770844 89.99965866 101.2178509 105.1936115 131.9320588 102.3031892 97.70443737 95.20530807 90.88092281 147.4021807 153.0772686 130.0723413 139.5992578 157.0558314 146.2888151 134.321012 111.0295221 91.91372324 103.4694956 113.6660943 95.75345108 125.6608002 111.3257104 133.050026 121.8538544 84.6810869 90.21817311 75.91856789 98.66085786 100.7186168 105.3119145 Alanine 368.3647596 342.5888417 340.5356673 421.51263 349.4620253 266.1288485 312.6398421 297.6835897 294.9952735 387.7358798 343.0227483 246.2872684 244.8322209 366.8227515 392.6664529 482.9766973 269.4721153 285.8915382 278.2856553 286.6215732 274.1613923 272.4512794 413.8753094 376.792614 321.3422312 320.5407975 236.2068629 291.7563351 240.6247301 459.3922703 311.3842249 320.0373903 290.8624936 275.5682215 215.4274703 189.8004133 413.691553 182.1749893 305.0239675 373.6972396 257.1541487 309.3766132 335.7262101 250.0693767 284.2430414 268.9463772 328.8048284 402.2465576 326.6226169 346.3997685 294.521849 307.4446789 315.2709591 287.5163731 312.6815897 301.1939234 313.3844393 400.7880197 373.7440669 385.0640893 221.5161555 234.5922032 274.3724356 280.3536591 310.1180983 277.7277128 454.0648399 360.4440005 289.3609023 277.4872459 199.9782751 328.5523587 267.7773825 395.7579504 Proline 190.9846514 179.2663512 179.9833682 179.6559511 164.2946746 140.2308524 116.3061122 118.1498484 142.4061844 230.3244079 188.2118483 92.25511305 113.4185613 130.1778436 126.7458461 327.4371771 151.1536585 160.6477509 113.3863714 89.33615129 114.181142 113.8995226 292.4091097 137.783724 137.0598312 154.5234827 157.2689624 91.59877047 88.55450106 201.6144389 143.2449899 154.4039174 109.928784 133.9812587 80.49255905 70.73888455 166.3356869 95.38892471 156.6504762 203.8654105 124.0370892 127.5104886 153.2926084 147.2774157 140.0556056 155.1627218 175.1283988 192.5102362 105.1548129 119.7955582 126.4719689 127.212436 118.0857513 155.0035246 157.4744275 117.1557429 125.0638415 136.7325158 111.7338798 216.1278651 97.72067648 126.1743722 188.9521749 164.9511849 154.6191166 167.2784974 160.216411 175.0447972 155.6767678 196.2213849 164.139863 161.0312397 156.6920197 160.9624433 Ornithine 32.12282717 38.55780385 45.39926434 66.02275863 61.53077866 38.36595984 36.40339401 38.43362471 42.2429129 46.98493964 28.81778876 51.42868259 58.05737771 53.51412052 44.827719 39.0121441 29.98322573 27.84025998 43.31997343 35.14860596 52.89960703 55.58613202 40.05407456 48.35830697 58.3657292 36.44929439 42.4870019 41.28973758 40.33206617 48.49788429 33.61493842 31.41038886 45.67211387 41.29372612 29.59198981 28.19355731 52.50115149 27.71914502 43.82783198 40.57056159 41.60021841 43.36627896 37.89535838 65.39085614 64.22249691 49.81721814 42.07198628 47.17625178 50.32419233 53.59885525 31.32048381 27.87209262 51.41418619 47.06541094 45.8092567 53.6358076 51.5406688 56.44573022 38.25855448 34.93024184 45.24601273 51.08639532 52.38959652 45.92851368 58.71934876 61.13331352 41.61357334 62.54457917 57.576899 38.25100386 32.6392617 35.76683786 37.29754275 34.90338207 Lysine 145.4538173 194.1008043 214.3716862 170.3371621 177.9467834 195.087268 176.1593342 174.8085122 190.6206456 180.2258583 118.8241106 173.9187369 175.7451482 138.4376805 126.6200853 199.1137935 207.0863997 158.1936919 181.7230431 150.9481601 191.6772485 187.1933413 142.7027873 186.7802348 180.6231383 179.0262799 151.029285 158.9696571 139.6060459 153.5598512 185.5811238 187.08649 180.4372278 128.4861059 168.6079626 167.226956 156.4158197 71.17052741 174.4692136 167.3834372 117.9845779 132.1780558 151.3568942 122.7156784 140.1332363 134.5623885 132.3219349 114.211131 153.4714715 156.6377743 154.0828884 146.6294459 170.3695024 150.5196983 168.8605586 141.0521708 140.659944 157.7550631 161.8704777 113.939621 146.8088114 141.1588144 110.8819806 86.31558523 133.5662543 162.8961359 146.5818506 158.6337107 134.2655851 231.0697871 194.3743099 164.5262718 140.1524739 140.5100411 Cystine 37.3494063 55.01459204 51.02592126 67.54502918 72.21500668 44.19226275 71.56175174 60.83733626 66.76517574 58.82018684 32.28523643 62.8840436 51.65295474 55.45250537 56.70996405 79.66663061 54.22919913 58.03176715 71.913645 58.030344 85.59384266 53.07949101 37.2612888 79.4601721 72.85322524 68.54543383 52.04059958 63.73746355 53.82792527 3.477059097 78.86042153 78.38920332 76.13197005 74.25390412 64.69589472 42.34551225 0.265432546 55.75963435 142.3762394 147.0567521 82.22430477 116.6013284 54.39856514 109.460973 92.67810436 94.40677557 100.6860397 125.3384416 126.4013249 115.6746482 78.80979423 75.15901803 66.41569175 103.8425428 142.4625796 161.0909772 138.2708811 121.3559055 128.2684265 91.47074538 131.4530406 115.1085325 87.48431966 89.08927441 141.8422468 86.45028979 121.1246178 96.32042512 78.93467662 95.16294937 77.86034021 151.5626403 109.2302311 117.7703118 Tyrosine 52.91683939 58.62542885 63.71361899 57.68139427 62.09557865 42.67289638 52.64336137 54.49884218 60.36471782 62.204573 52.82418106 58.14696618 68.79625434 46.69271173 44.54252783 56.76987094 54.16705148 50.51801292 60.15279864 52.71498609 55.03382363 62.23066855 60.10059699 61.52121528 59.36790411 58.98226596 61.91518988 55.81588031 47.26652333 71.04805736 52.52276543 55.48043484 55.12382185 36.64924249 42.23731446 46.57285569 70.24405119 27.48562422 49.97761707 48.81968434 45.95191283 55.09415398 60.27804871 42.40951795 50.48314656 50.05416136 46.92565029 69.23184163 55.66698689 61.21669933 57.72396844 54.42956434 61.85669677 56.10400573 64.94860912 67.38902538 71.47044953 52.91817075 52.06245089 54.32795248 40.3119433 37.94042308 64.37693864 59.70235802 59.85232924 67.00511378 76.30554679 53.43402229 86.30543546 76.66984428 57.05622509 81.00953325 69.13507178 63.64835927 Valine 181.6908221 179.7607897 193.9477588 218.6999712 225.7868076 161.7451297 202.4878398 215.3937009 247.101997 255.8765819 185.6277218 146.7790575 156.5435302 172.6497513 160.6374059 215.6457104 186.7707843 170.3500422 221.0770847 165.6245667 235.512339 221.1325002 189.7103969 184.9726764 181.609049 226.1999582 227.8736614 186.8704173 183.3297643 174.6645838 279.6537746 304.6867262 171.0967002 123.3804086 175.0973037 175.719647 180.2805616 115.1436242 254.0833983 255.8273495 145.1988643 165.3911805 285.1909963 226.5401031 232.9088992 210.2422506 205.8205105 206.6227413 174.6157209 187.1235139 178.5014424 177.7827119 283.415098 226.708428 221.5196221 235.5281847 234.7063594 227.0966129 228.9919237 227.5097216 181.7148802 155.2762572 246.4106966 168.2884211 263.8718955 321.4417809 203.2407554 243.2562387 218.115002 195.4308828 156.9928374 292.4147941 295.9212263 246.5605994 Isoleucine 56.05437793 57.27479998 60.39565251 56.56878157 67.45265021 49.30879463 49.37134207 49.40989171 63.46087955 56.10373086 56.84305322 33.9268344 36.22861328 38.24581501 34.15795205 54.93824844 46.16161472 44.98879059 54.40039796 40.65561974 61.35592576 59.87776941 73.89865178 46.11549138 45.20327996 59.4017815 64.65222025 46.33384188 48.82883115 55.08954449 60.66035003 62.05114389 36.59563035 30.77940466 38.39372126 38.34227921 46.48618149 34.81221414 61.17443771 84.2144963 36.36791978 44.41412234 73.68466421 69.29817717 66.29844939 59.5469118 52.17239575 77.52991512 44.08896458 43.77378928 48.04537298 52.62092522 71.78872099 53.16246233 58.5794218 71.08411863 63.97868346 50.82370477 56.63688966 74.23665355 42.5177285 47.28022026 60.54510453 51.36235969 56.80031358 74.71241182 58.35856335 67.12418368 55.72505118 46.07451077 37.72444206 81.99082115 84.67389605 66.78794971 Leucine 104.7548211 91.94408753 109.1382845 112.8810132 121.9509727 94.00283354 103.6611456 102.9463451 133.1111409 119.5724274 109.0421393 73.32871646 78.60958703 94.75835031 84.22177784 114.6130334 95.09581201 89.11789465 123.923322 88.35421317 123.2991004 115.7906511 103.0422334 88.26271687 90.48662504 134.1682426 128.0646365 100.0837301 93.00412819 108.4105751 133.4499471 139.6798167 100.2997655 70.14699987 88.4354323 84.24934327 81.49136289 64.1541225 126.6949506 145.4027585 78.59381661 92.93775575 134.6148108 120.9525834 138.7063085 111.412307 98.07621901 130.0464402 100.249825 91.70614091 94.29930644 100.7439548 137.8011456 99.5864687 113.3867352 129.8199342 128.5858021 108.3369585 120.0736553 125.1326884 86.57411657 82.52155868 114.5653182 81.87610198 122.8768487 140.8903761 105.061073 123.6377834 110.5614097 101.832703 82.91856694 150.6439269 155.8678146 121.2539886 Phenylalanine 75.96105634 51.03921144 54.30765142 53.29890714 61.13343671 51.49539791 74.11700744 89.97501542 53.18141412 50.79440356 55.94758799 47.66007282 51.82395267 45.82441411 48.97490773 66.79941879 48.52987655 44.95195254 53.61339356 51.84261028 52.47155886 54.30716549 57.71104882 46.0353628 50.16049012 48.34927063 50.15183046 54.31967047 52.46872575 60.32203473 56.92273946 58.97168802 48.46184381 40.71679783 46.51499365 44.30649479 65.83577401 27.70325877 51.76323267 51.75205975 41.84137745 45.9794912 60.79233371 46.25977006 53.88204462 53.84312857 49.52733513 56.82067249 49.76795837 44.6597838 47.10266115 50.17567532 62.30487214 46.92836561 52.85843433 52.24977455 55.338329 51.1509099 57.49684691 49.40716914 43.05790332 36.936232 51.2372379 48.92761324 51.96862729 53.87690905 56.78647088 62.25531029 57.66484863 54.4629322 48.19630028 58.80167633 55.8110985 53.98095332 Tryptophan 56.16370607 44.39703881 48.68552968 37.25564829 43.4063171 40.15731583 42.01771694 39.1755577 44.4088517 44.39024225 50.73315549 42.17076527 43.74453614 41.60992192 34.75048427 71.60869241 49.89152214 42.51045573 46.6263457 49.57008061 38.15910311 42.62567024 59.19352421 48.59572491 42.67454643 41.52131758 48.2406852 45.97327462 47.87922502 50.62440882 42.11291929 43.63488512 63.14905311 57.26989543 36.41611063 42.15440015 51.39453051 37.69699487 47.33877545 51.03609351 39.93296101 46.05782004 59.01781423 39.85358567 41.56775815 48.63618295 43.40819721 62.26353565 49.73676772 54.120947 40.10083523 38.91979015 59.70762511 38.60061173 42.53375093 46.67675318 56.12825244 41.1128747 41.21030298 52.41123324 35.40369911 31.25099994 46.29992665 45.22236764 44.66911579 48.41933268 65.83161049 48.27024083 39.37960136 43.41965339 37.39113549 48.9438383 52.79716283 55.12628291 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Phosphoethanolamine Carnosine Anserine Ethanolamine Aspartic Acid Sarcosine beta-Alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Cystathionine 1 Cystathionine 2 Methionine allo-Isoleucine Homocystine Asparagine Arginine Taurine Serine Glutamine Glycine Citrulline Glutamic Acid Threonine Alanine Proline Ornithine Lysine Cystine Tyrosine Valine Isoleucine Leucine Phenylalanine Tryptophan METABOLITES_END #END