Spreadsheet: 1ec4c6f2-af34-4258-bb6c-84c1345d0620
Sheet: Table S2

Table S2. Results of statistical hypothesis test of factor loading in PC1 and [NAME]'s t-test in db/[NAME] study
Annotation name | p-value (factor loading) |  | p-value ([NAME]'s t-test)
Urea | 0.393546192810055 |  | 0.406894254713919
Isobutylamine | 0.0157286034509172 | * | 0.0561900037095415
Gly | 0.0211114352981226 | * | 0.0974409469118246
Trimethylamine N-oxide | 0.0832395061207015 |  | 0.361402268163339
Isopropanolamine | 0.757091894481096 |  | 0.639813741406118
Putrescine | 0.0013924551927611 | * | 0.00255836853092094 | *
Sarcosine | 0.269777665258581 |  | 0.326851310068531
β-Ala | 0.609345446002574 |  | 0.36485835764303
Ala | 0.679888849623325 |  | 0.473957788730177
1-Methyl-2-pyrrolidone | 0.135828261184982 |  | 0.263474699375448
Cyclohexylamine | 0.526178190008837 |  | 0.643681735607271
Acetoacetamide | 0.225607037420993 |  | 0.354994664888306
Hexylamine | 0.186389668303494 |  | 0.0912064092225532
N-Methylalanine | 0.762903530155162 |  | 0.74332978610817
3-Aminobutyric acid | 0.0136681486794401 | * | 0.00448861937959073 | *
2-Aminobutyric acid | 0.748148497965557 |  | 0.816325094668912
GABA | 0.0141583146596648 | * | 0.0686808047018913
3-Aminoisobutyric acid | 0.529672945880041 |  | 0.465398381253215
N,N-Dimethylglycine | 0.617893114506313 |  | 0.565567452639971
Choline | 0.88681035559999 |  | 0.830871416255639
2,3-Diaminopropionic acid | 0.00264918764057809 | * | 0.00746093323404256 | *
Ser | 0.522879830691176 |  | 0.622078124960508
Diethanolamine | 0.0803333441791836 |  | 0.0280981935317011 | *
Hypotaurine | 0.116752596285739 |  | 0.183142607938964
Cytosine | 0.610306417150834 |  | 0.62336205248306
Histamine | 0.58546708706171 |  | 0.652744942672607
Uracil | 0.40825723938245 |  | 0.385241306119975
1-Pyrroline 5-carboxylic acid | 0.445875210092184 |  | 0.328849066065253
Creatinine | 0.760445372032806 |  | 0.921756531546592
Pro | 0.102780537716659 |  | 0.311950575472401
Guanidoacetic acid | 0.950222726816976 |  | 0.621043162341703
[NAME] | 0.0561845600679304 |  | 0.0170346092440983 | *
5-Aminovaleric acid | 0.0887319424682144 |  | 0.0871747034759249
Val | 0.175605722267023 |  | 0.230020089386242
2,4-Diaminobutyric acid | 0.0617243241050895 |  | 0.0255905560968909 | *
4-Amino-3-hydroxybutyric acid | 0.000387988705044676 | * | 0.003835292154074 | *
2-Methylserine | 0.207572797293368 |  | 0.110363473823969
Homoserine | 0.579386705052459 |  | 0.489282427246506
[NAME] | 0.606834855803846 |  | 0.763411184153528
[NAME] aldehyde_+H2O | 0.0178686837818052 | * | 0.0587634158212565
[NAME] | 0.0232308270108569 | * | 0.157544522123776
Isonicotinamide ; Nicotinamide | 0.0556657783309389 |  | 0.16053981525122
Nicotinic acid | 0.290626679375765 |  | 0.501751277736922
Taurine | 0.0199258391325998 | * | 0.00379097761332209 | *
1-Methylhistamine | 0.169929059154682 |  | 0.204035909231126
Imidazole-4-acetic acid | 0.920935767329407 |  | 0.972787801118559
Pipecolic acid | 0.274306997151168 |  | 0.418783399640275
N-Methylproline | 0.400151038182083 |  | 0.374807581440617
trans-Glutaconic acid ; Itaconic acid | 0.875148905015881 |  | 0.879585660953173
Hydroxyproline | 0.635740137681744 |  | 0.651958854547647
[NAME] | 0.184192916894542 |  | 0.201957899091229
6-Aminohexanoic acid | 0.892636260735002 |  | 0.722838012252838
[NAME] | 0.242997693531329 |  | 0.401534124848288
Leu | 0.272531800364805 |  | 0.425819531679452
Gly-Gly | 0.0395092641580195 | * | 0.039590798891856 | *
[NAME] | 0.16263481831169 |  | 0.455529768282565
Ornithine | 0.97594476353624 |  | 0.745700258382458
Thiaproline | 0.209984268665796 |  | 0.263466038884086
Asp | 0.240089054072937 |  | 0.196127704727443
Adenine | 0.309812879786251 |  | 0.378910669912615
Hypoxanthine | 0.617533510761585 |  | 0.863699807973174
1-Methylnicotinamide | 0.214399867438089 |  | 0.339585725900731
Trigonelline | 0.222187207438886 |  | 0.246560096396993
Tyramine | 0.800674607853874 |  | 0.974560534595874
Urocanic acid | 0.819757440736534 |  | 0.550582771751351
1-Methyl-4-imidazoleacetic acid | 0.295841511540723 |  | 0.404372406148208
1H-Imidazole-4-propionic acid | 0.280482232930662 |  | 0.473857330321636
Ectoine | 0.844368579010185 |  | 0.758755042136192
Stachydrine | 0.130627563635708 |  | 0.0747680416490035
4-Guanidinobutyric acid | 0.102488395973035 |  | 0.0506382242625094
[NAME] | 0.623967764205757 |  | 0.694061761484203
Spermidine | 0.00864564879960095 | * | 0.0129626724854984 | *
Lys | 0.373460061761142 |  | 0.607667783636057
threo-β-Methylaspartic acid | 0.042399193120865 | * | 0.0369720875661619 | *
[NAME] | 0.475274867665654 |  | 0.429210514670835
Gln | 0.950544239636808 |  | 0.53153777561896
Met | 0.793784207510117 |  | 0.456364628137637
Triethanolamine | 0.563273165462802 |  | 0.915698798177186
Oxypurinol | 0.3690188232531 |  | 0.330883571303412
His | 0.454970234635512 |  | 0.829635532879365
Imidazolelactic acid | 0.228381510256817 |  | 0.0417894142822042 | *
Betonicine | 0.461585414278133 |  | 0.373900966300059
Ala-Ala | 0.176549050853874 |  | 0.237995031305276
2-Aminoadipic acid | 0.483406952970115 |  | 0.554124643908051
Carnitine | 0.00408288984087912 | * | 0.0097392656613358 | *
Pterin | 0.0750341590415582 |  | 0.128485384880861
S-Methylmethionine | 0.000761951861170876 | * | 0.000952023531643935 | *
[NAME] sulfoxide | 0.0779191360206912 |  | 0.0575005078813213
Phe | 0.892940324772014 |  | 0.615774411542817
Pyridoxal | 0.0383731753642103 | * | 0.0399511794499587 | *
1-Methylhistidine ; 3-Methylhistidine | 0.763449763282781 |  | 0.950576572839719
N-Acetylornithine | 0.994768163654104 |  | 0.774089658132733
N5-Ethylglutamine | 0.147586076429298 |  | 0.131518829741246
Arg | 0.539026722641821 |  | 0.537807943167052
Guanidinosuccinic acid | 1.86506692707725e-05 | * | 0.00108437844722112 | *
Citrulline | 0.121931839005216 |  | 0.234565746696941
Serotonin | 0.539232878403685 |  | 0.683821566086273
Xanthopterin | 0.0143832275198755 | * | 0.0426946720481315 | *
Glucosamine | 0.523702143834623 |  | 0.651920660654369
Pyridine-2-carboxylic acid butyl ester | 0.481590178079851 |  | 0.42228311261321
Tyr | 0.245367505416715 |  | 0.509961245236769
Phosphorylcholine | 0.0146526442812719 | * | 0.001443541153093 | *
N8-Acetylspermidine | 0.226014391484924 |  | 0.348585409723885
N1-Acetylspermidine | 0.00106083823423142 | * | 0.00142861081807958 | *
N6-Acetyllysine | 0.162214205556028 |  | 0.132905153435259
Gly-Leu | 0.349290831587386 |  | 0.485834938096205
Nω-Methylarginine | 0.275073651492553 |  | 0.293787691065595
N6,N6,N6-Trimethyllysine | 0.169439911745884 |  | 0.143956069551064
Gly-Asp | 0.325831560590478 |  | 0.404778458839371
Phenaceturic acid | 0.0606303927311953 |  | 0.124991654720137
N-Acetylhistidine | 0.00201031566403807 | * | 0.0113718372442001 | *
ADMA | 0.918989091540876 |  | 0.934226313322618
SDMA | 0.670270551208484 |  | 0.797982851521502
Spermine | 0.0392779850889553 | * | 0.0351611482698977 | *
O-Acetylcarnitine | 0.0476376586877298 | * | 0.0916536033592728
Trp | 0.542065034956958 |  | 0.917071320960616
Carboxymethyllysine | 0.0618189563973588 |  | 0.0776916199530053
Kynurenine | 0.663934271534148 |  | 0.445081693522316
p-Nitrophenyl phosphate | 0.00909723655288184 | * | 0.0632989591409292
N-Acetylglucosamine | 0.438087234712155 |  | 0.305817435408763
Cystathionine | 0.556355017489724 |  | 0.732435516159663
Carnosine | 0.214868904148708 |  | 0.359949726923512
Ergothioneine | 0.081948802444646 |  | 0.119753285824567
Ser-Glu | 0.509776140743452 |  | 0.213685027760129
Thr-Asp | 0.219994870881039 |  | 0.150063205100587
7,8-Dihydrobiopterin | 0.0114723350441375 | * | 0.00650811944631103 | *
5,6,7,8-Tetrahydrobiopterin | 0.00050388171297527 | * | 0.0168966547132069 | *
Cytidine | 0.999883922174753 |  | 0.976670814085366
Uridine | 0.16097606205981 |  | 0.160313823427684
Pyridoxamine 5'-phosphate | 0.197897325587975 |  | 0.457921695306895
[NAME] | 0.0802980339861533 |  | 0.251894497934957
Dyphylline | 0.0138243621527339 | * | 0.0840259980339735
[NAME] | 0.0375770003793717 | * | 0.106534455286201
Thiamine | 0.553548654951203 |  | 0.691148815594976
Adenosine | 0.33013533473359 |  | 0.208735784631443
Inosine | 0.440753385192699 |  | 0.605204868125859
Saccharopine | 0.525943726892799 |  | 0.639970523636535
1-Methyladenosine | 0.171624078363033 |  | 0.141148608804994
[NAME] | 0.155355283191443 |  | 0.195513590342569
Ophthalmic acid | 0.135823112669005 |  | 0.214880413871137
Argininosuccinic acid | 0.149597904223746 |  | 0.197557302589191
5'-Deoxy-5'-methylthioadenosine | 0.100080627472682 |  | 0.111765948525437
[NAME] | 0.0730406293481594 |  | 0.135350849214991
Glutathione (GSSG)_divalent | 0.852404217049515 |  | 0.759891191976705
Glutathione (GSH) | 0.0479043948185258 | * | 0.166637892088536
[NAME] | 0.48573752655526 |  | 0.842913477365609
S-Nitrosoglutathione | 0.335335904959592 |  | 0.115853215481737
Thiamine phosphate | 0.83839445550385 |  | 0.711867956595622
S-Lactoylglutathione | 0.0962349422292106 |  | 0.0487231514307798 | *
S-Adenosylhomocysteine | 0.241636537060368 |  | 0.293098655626096
S-Adenosylmethionine | 0.603784356963553 |  | 0.552395807720147
Cysteine glutathione disulphide | 0.00555450951942771 | * | 0.0424889208951222 | *
Glyoxylic acid | 0.213345177783339 |  | 0.373900966300059
Propionic acid | 0.0726944558006379 |  | 0.0317835999614135 | *
Glycolic acid | 0.426890985666556 |  | 0.297702397479727
Pyruvic acid | 0.00130744037988539 | * | 0.0319034720359546 | *
Isobutyric acid ; Butyric acid | 0.229997998406655 |  | 0.278190689578233
Lactic acid | 0.395357052130516 |  | 0.196023259115636
Isovaleric acid | 0.370915600938646 |  | 0.343245407170553
2-Hydroxybutyric acid | 0.0114389219837728 | * | 0.0435802424298666 | *
2-Hydroxyisobutyric acid | 0.0480192653132872 | * | 0.127121626691426
3-Hydroxybutyric acid | 0.869693005231787 |  | 0.966811145602372
[NAME] acid | 0.000677035357377509 | * | 0.00122028318277146 | *
Fumaric acid | 0.34626726351436 |  | 0.234016560223923
Hexanoic acid | 0.902740785271289 |  | 0.728161420327523
Succinic acid | 0.453090381928847 |  | 0.968407857531259
2-Hydroxyvaleric acid | 0.472307189100273 |  | 0.361833159621144
Benzoic acid | 0.0194497740375288 | * | 0.0358289766292486 | *
Isethionic acid | 0.0215418461318131 | * | 0.0139210976520783 | *
5-Oxoproline | 0.0987524428419424 |  | 0.14238806418815
5-Oxo-2-tetrahydrofurancarboxylic acid | 0.0428261109963867 | * | 0.17902202563724
5-Oxohexanoic acid | 0.0262841657900477 | * | 0.0414847869740009 | *
Heptanoic acid | 0.799263630897314 |  | 0.939173404368105
N-Acetyl-β-alanine | 0.0635903668518107 |  | 0.198007047569558
Glutaric acid | 0.676094557884242 |  | 0.76490442520611
3-Ureidopropionic acid | 0.239121574816752 |  | 0.337987191989038
2-Hydroxy-4-methylvaleric acid | 0.0517911051351563 |  | 0.0738455657188672
6-Hydroxyhexanoic acid | 0.504390199006852 |  | 0.620297858499405
Malic acid | 0.338582989153568 |  | 0.22645809681433
Threonic acid | 0.0665869783133586 |  | 0.0465829624908289 | *
Ethanolamine phosphate | 0.884335771293221 |  | 0.793389059931028
Adipic acid | 1.47275241575784e-05 | * | 0.000287317125641403 | *
Xanthine | 0.612626719833092 |  | 0.590253661091135
Cysteinesulfinic acid | 0.271186685113532 |  | 0.335946203698518
Pelargonic acid | 0.0366290039438177 | * | 0.073186506615142
N-Methylglutamic acid | 0.116104917610426 |  | 0.200165415602785
3-Hydroxy-3-methylglutaric acid | 0.772121098832539 |  | 0.789164115448086
Quinolinic acid | 0.00976083778586911 | * | 0.0247452368547759 | *
[NAME] acid | 0.000428371929330096 | * | 0.000196273699498223 | *
Uric acid | 0.0441885100500463 | * | 0.141480316560038
Cysteic acid | 0.00116142343331812 | * | 0.0035900027473231 | *
Dihydroxyacetone phosphate | 0.00728064620553952 | * | 0.026378128025616 | *
[NAME] | 0.461585414278133 |  | 0.373900966300059
Glycerol 3-phosphate | 0.299516856935888 |  | 0.766945872445986
N-Acetylleucine | 0.0256910935988882 | * | 0.0193426917122577 | *
cis-Aconitic acid | 0.868694674393323 |  | 0.985084535670061
Suberic acid | 0.045678837718108 | * | 0.194286231632814
Ascorbic acid | 0.392616949815304 |  | 0.682515157736778
N-Carbamoylaspartic acid | 0.639402943802208 |  | 0.669875820456047
Theobromine | 0.0791797922592655 |  | 0.184295605515892
[NAME] acid | 0.635060246965157 |  | 0.439094712924409
2-Phosphoglyceric acid | 0.00769127982401319 | * | 0.0219756610179693 | *
3-Phosphoglyceric acid | 0.00785478697600084 | * | 0.0237549793020158 | *
N-Acetylglutamic acid | 0.76072760907758 |  | 0.835312495823467
N-Acetylmethionine | 0.306820215402369 |  | 0.447248028078658
Isocitric acid | 0.23920747737049 |  | 0.218301178980744
Citric acid | 0.957300472063491 |  | 0.70842499770855
Glucuronic acid | 0.948408290312409 |  | 0.635079112824601
Gluconic acid | 0.347738990195461 |  | 0.338918885209942
[NAME] acid | 0.0458951927976353 | * | 0.0193752430673798 | *
5-Methoxyindoleacetic acid | 0.0255184875606005 | * | 0.0366995342693346 | *
N-Acetylphenylalanine | 0.00605255819501572 | * | 0.0440820425216303 | *
[NAME] acid | 0.200877803286229 |  | 0.195745527347893
Glucaric acid | 0.834300109053022 |  | 0.913661927420776
Phosphocreatine | 0.149270462222514 |  | 0.44823339191331
3-Indoxylsulfuric acid | 0.257616840227431 |  | 0.367357832356487
O-Succinylhomoserine | 0.736409089637111 |  | 0.962037716871744
Pantothenic acid | 0.119203124286753 |  | 0.0534880479294744
Ribose 5-phosphate | 0.787452905522723 |  | 0.614513957910552
Ribulose 5-phosphate | 0.247921781916995 |  | 0.263453554405123
2-Deoxyglucose 6-phosphate | 0.407178812925821 |  | 0.312928507923142
Ganciclovir | 1.01320248099513e-05 | * | 0.00117459513268785 | *
myo-Inositol 2-phosphate | 0.739182993145537 |  | 0.984392567085386
Glucose 1-phosphate | 0.017039163610773 | * | 0.0110333426432959 | *
Glucose 6-phosphate | 0.0554442975394283 |  | 0.0704022332702708
Fructose 6-phosphate | 0.0593333057400718 |  | 0.0614521367314177
Sorbitol 6-phosphate | 0.00394407898908189 | * | 0.00061238695672597 | *
2,3-Diphosphoglyceric acid | 0.570411510716177 |  | 0.69175132537356
6-Phosphogluconic acid | 0.538003511842945 |  | 0.446859510858259
[NAME] | 0.0110061012632605 | * | 0.0686808424956753
[NAME] | 0.215865026336813 |  | 0.503857103017818
Sedoheptulose 7-phosphate | 0.139999941686384 |  | 0.0798250702805341
N-Acetylglucosamine 6-phosphate | 0.130320653785386 |  | 0.187369912961958
N-Acetylglucosamine 1-phosphate | 0.28693483089659 |  | 0.192688303895656
N-Acetylneuraminic acid | 0.369519275925014 |  | 0.529905144446283
Ribulose 1,5-diphosphate | 0.985275343854767 |  | 0.529223510243361
CMP | 0.271887902274593 |  | 0.33344004854711
UMP | 0.285981485811788 |  | 0.179167046547054
5-Aminoimidazole-4-carboxamide ribotide | 0.418966946686944 |  | 0.4826171337335
Fructose 1,6-diphosphate | 0.0774058029350479 |  | 0.202343037907989
AMP | 0.612075914667392 |  | 0.957018506961197
IMP | 0.822889356637331 |  | 0.83761391016888
GMP | 0.936226884961108 |  | 0.957191476462621
NADPH_divalent | 0.0487895658072519 | * | 0.0523077005678931
CoA_divalent | 0.2373597313304 |  | 0.121731812543954
FAD_divalent | 0.00386088553646191 | * | 0.000115212182251881 | *
CDP | 0.238477605233672 |  | 0.147394040150234
UDP | 0.250882943500064 |  | 0.337202047223902
Acetyl CoA_divalent | 0.29455855788829 |  | 0.69761343343718
Cholic acid | 0.501012501729076 |  | 0.568295468325499
Propionyl CoA_divalent | 0.536480241941413 |  | 0.623366619203881
Isobutyryl CoA_divalent | 0.944944634442275 |  | 0.837791630267288
Trehalose 6-phosphate | 0.164421838660131 |  | 0.214193857817912
3',5'-ADP | 0.115328199263002 |  | 0.163821561069925
ADP | 0.0259787592643889 | * | 0.0343025267964654 | *
GDP | 0.00164789029622234 | * | 0.0161064839990872 | *
Octanoyl CoA_divalent | 0.285667898107041 |  | 0.391370968286256
Adenylosuccinic acid | 0.772374756062169 |  | 0.637242231897443
Glycocholic acid | 0.0642632517441588 |  | 0.133455062536902
UTP | 0.75781403095112 |  | 0.769538337616099
CDP-choline | 0.935077620742271 |  | 0.46936259674192
ATP | 0.0567053326636427 |  | 0.0486412415417446 | *
Taurocholic acid | 0.293748284846263 |  | 0.587518374120645
GTP | 0.000415131479689689 | * | 0.00353542079547556 | *
ADP-ribose | 0.0578806028433054 |  | 0.036336024208319 | *
UDP-glucose ; UDP-galactose | 0.0015779892799713 | * | 0.00774323302363659 | *
UDP-glucuronic acid | 0.983956690270088 |  | 0.665478522845525
ADP-glucose ; GDP-fucose | 0.0114884562194271 | * | 0.00661575823137135 | *
GDP-mannose ; GDP-galactose | 0.0140599258300925 | * | 0.067483818110486
UDP-N-acetylglucosamine | 0.709946812992981 |  | 0.989065417804186
CMP-N-acetylneuraminate | 0.991954360447472 |  | 0.89930663670275
NAD+ | 0.0396416291855445 | * | 0.190970612901328
NADH | 0.000588125432318841 | * | 0.0173485595015492 | *
3'-Dephospho CoA | 0.283751135447449 |  | 0.29243159668272
NADP+ | 0.566444088841783 |  | 0.233852908775416
*p<0.05