The metabolites were identified by accuracy mass and MS/MS data which were matched with HMDB (http://www.hmdb.ca)[8], massbank (http://www.massbank.jp/)[9], KEGG (https://www.genome.jp/kegg/)[12], LipidMaps (http://www.lipidmaps.org)[10], mzcloud (https://www.mzcloud.org)[11] and the metabolite database. The molecular weight of metabolites was determined according to the m/z (mass-to-charge ratio) of parent ions in MS data. Molecular formula was predicted by ppm (parts per million) and adduct ion, and then matched with the database. At the same time, the MS/MS data from quantitative table of MS/MS data, were matched with the fragment ions and other information of each metabolite in the database, so as to realize the MS/MS identification of metabolites.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["The LC analysis was performed on a Vanquish UHPLC System (Thermo Fisher Scientific, USA).
Chromatography was carried out with an ACQUITY UPLC ® HSS T3 (2.1×100 mm, 1.8 µm)
(Waters, Milford, MA, USA). The column maintained at 40 ℃. The flow rate and injection volume
were set at 0.3 mL/min and 2 μL, respectively. For LC-ESI (+)-MS analysis, the mobile phases
consisted of (B2) 0.1% formic acid in acetonitrile (v/v) and (A2) 0.1% formic acid in water (v/v).
Separation was conducted under the following gradient: 0~1 min, 10% B2; 1~5 min, 10%~98% B2;
5~6.5 min, 98% B2; 6.5~6.6 min, 98%~10% B2; 6.6~8 min, 10% B2. For LC-ESI (-)-MS analysis,
the analytes was carried out with (B3) acetonitrile and (A3) ammonium formate (5mM).
Separation was conducted under the following gradient: 0~1 min, 10% B3; 1~5 min, 10%~98% B3;
5~6.5 min, 98% B3; 6.5~6.6 min, 98%~10% B3; 6.6~8 min, 10% B3
"],"publication":["Digital Phenomics and Dual-Fluid Metabolomics for Precision Stratification of Diabetic Kidney Disease: A Multicenter Cohort Study."],"submitter_name":["海丽 å¼"],"submitter_affiliation":["Beijing University of Chinese Medicine"],"organism_part":["urine","blood"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["1. Thaw the experimental sample at 4℃, vortex the sample for 1 min after thawing, and mix
evenly;
2. Accurately transfer an appropriate amount of sample into a 2 mL centrifuge tube, add 100μL
2-Amino-3-(2-chloro-phenyl)-propionic acid (4 ppm) solution prepared with 80% methanol water
and vortex for 1 min;
3. Centrifuge for 10 min at 12,000 rpm and 4℃,filter the supernatant by 0.22 μm membrane and
transfer into the detection bottle for LC-MS detection.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14007"],"author":["Haili Zhang. Beijing University of Chinese Medicine. zhanghaili0112@163.com."],"data_transformation_protocol":["The raw data were firstly converted to mzXML format by MSConvert in ProteoWizard software package (v3.0.8789)[1] and processed using R XCMS(v3.12.0) for feature detection[2], retention time correction and alignment. Key parameters settings were set as follows: ppm=15, peakwidth=c(5, 30), mzdiff=0.01, method=centWave. The batch effect was then eliminated by correcting the data based on QC samples. Metabolites with RSD > 30% in QC samples were filtered and then used for subsequent data analysis.
"],"study_factor":["Treatment"],"submitter_email":["zhanghaili0112@163.com"],"sample_collection_protocol":["Urine samples were collected from the subjects during their physical examination period. Morning mid-stream urine (30 mL) was uniformly collected. Prior to collection, the researchers informed the subjects that they were required to fast for 8-12 hours, and their dietary intake and medication usage from the previous day were recorded in detail. Subjects were excluded if they had consumed any foods or medications within 24 hours before sampling that could potentially affect the color of the urine.
Blood samples were collected from the subjects in the early morning on the day of their physical examination. All subjects were required to fast for 8-12 hours before blood collection to minimize the impact of dietary factors on blood metabolite levels. Venous blood (5 mL) was collected by professionally trained medical personnel using disposable sterile vacuum blood collection tubes. Strict aseptic procedures were followed during blood collection to avoid hemolysis and exogenous contamination.
"],"omics_type":["Metabolomics"],"study_design":["Diabetic Nephropathies","Biomarkers","untargeted metabolite profiling"],"curator_keywords":["Diabetic Nephropathies","Biomarkers","untargeted metabolite profiling"],"mass_spectrometry_protocol":["Mass spectrometric detection of metabolites was performed on Orbitrap Exploris 120 (Thermo
Fisher Scientific, USA) with ESI ion source. Simultaneous MS1 and MS/MS (Full MS-ddMS2 mode,
data-dependent MS/MS) acquisition was used. The parameters were as follows: sheath gas
pressure, 40 arb; aux gas flow, 10 arb; spray voltage, 3.50 kV and -2.50 kV for ESI(+) and ESI(-),
respectively; capillary temperature, 325 ℃; MS1 range, m/z 100-1000; MS1 resolving power,
60000 FWHM; number of data dependant scans per cycle, 4; MS/MS resolving power, 15000 FWHM; normalized collision energy, 30%; dynamic exclusion time, automatic
"],"metabolite_name":["Dgla-TG","Phenylpyruvate","Corticosterone","Quercetin 3-glucosyl-(1->2)-galactoside","alpha-hydroxysalmeterol","Riboflavin","L-Octanoylcarnitine","4-Hydroxynonenal glutathione","D-Tartaric acid","Solanidine","4-(4-Methylphenyl)-2-butanone","3-Oxododecanoyl-CoA","Stearoylcarnitine","Ectoine","1,6-Digalloyl-beta-D-glucopyranose","1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine","2,6-Dimethylaniline","Quinoline","Altretamine","1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine","1,2-di-(9Z-octadecenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol","1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine","Trans-4-hydroxyproline","1-Phenyl-2,4-pentadiyn-1-one","Alkannin","2,5-Diisothiocyanatobenzenesulfonate","1-Isothiocyanato-7-(methylthio)heptane","Biotin","2,2'_5',2''-Terthiophene","Methylphosphate","3-Hydroxyanthranilic Acid","1,5-Naphthalenediamine","1-(5-Methyl-2-thienyl)-1-propanone","(Z)-Farnesol","1-Methylxanthine","Phenol","indole-3-glycol","PE(18_2(9Z,12Z)_18_2(9Z,12Z))","Capryloylglycine","Apstatin","PA(i-13_0_i-15_0)","Phytonadione","Imidocarb","SM(d18_0_22_1(13Z)(OH))","5-Aminoimidazole ribonucleotide","Tristearin","LysoPC(15_0_0_0)","9-cis-Retinoic acid","4-(2'-carboxyphenyl)-4-oxobutyryl-CoA","Butyrylcarnitine","Estradiol","Ubiquinone 6","12-Ketodeoxycholic acid","Phenylacetyl-CoA","Cannabinol","creatinine","4-(Dimethylamino)benzaldehyde","l-Alanyl-l-leucine","Chloroxine","Estriol","Dicyclomine","11-beta-Hydroxyandrosterone-3-glucuronide","MG(16_0_0_0_0_0)","N-Acetyl-L-glutamate 5-semialdehyde","Resacetophenone","Longistylin A","Glutamylisoleucine","Xanthoplanine","Fusaric Acid","Gamma-Glutamyltyrosine","Capsanthin","N-desmethylimatinib","all-trans-Heptaprenyl diphosphate","Fenpropidin","TG(15_0_18_2(9Z,12Z)_22_4(7Z,10Z,13Z,16Z))","1,3-Dilinolenoylglycerol","methyl L-leucinate","1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine","gamma-Glutamylphenylalanine","Pizotyline","11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin","Epoxomicin","9-Decenoylcarnitine","Isoetharine","Methylselenopyruvate","pregn-5-ene-3,20-dione-17-ol","Gravelliferone","Palmitaldehyde","N-Methyl-L-proline","SM(d18_1_14_0)","Diadenosine hexaphosphate","Tfllr-NH2","2-Oxo-4-methylthiobutanoic acid","Chlorpropham","Dual-release hydrocortisone","Colfosceril palmitate","Licoricesaponin E2","Diethylphosphate","Praziquantel","1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine","2,6-Dimethoxy-4-methylphenol","Salicylaldehyde","Hydroxyprolyl-Lysine","1-acyl-PAF","1-Palmitoylphosphatidylcholine","Dihydrocortisol","TG(16_0_22_5(4Z,7Z,10Z,13Z,16Z)_20_4(8Z,11Z,14Z,17Z))","Urobilinogen","Rosamicin","alpha-Tocotrienoxyl radical","Peonidin 3-rhamnoside 5-glucoside","Araloside A","Azimilide","Chenodeoxycholyltryptophan","3-Sulfinylpyruvic acid","mebeverine","3-Methylxanthine","Canthaxanthin","13-Docosenamide","(S)-Hydroxyhexanoyl-CoA","3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol","2-Biphenylol","3-Carbamoyl-2-phenylpropionaldehyde","S-methylcysteine","Ronilan","Valine betaine","PC(22_6(4Z,7Z,10Z,13Z,16Z,19Z)_20_4(8Z,11Z,14Z,17Z))","Homoarecoline","Montecristin","Choline Alfoscerate","2'-O-Methylglabridin","Aprindine","Hexadecenoylcarnitine","beta1-Chaconine","2-Methylindole","Memantine","4-Hydroxyquinoline","1,2-Dihexadecanoyl-rac-glycero-3-phosphoethanolamine","N2-Methylguanine","1,3-Dichloroacetone","2-Pentanone","2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone","Uridine","Asparaginyl-Valine","(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","L-argininium(1+)","2-Pentadecanone","(3R,4R)-3,4-dihydroxyoxolan-2-one","Ethyl vanillate","Carbidopa","Isovalerylcarnitine","Acetyl-DL-carnitine","Indole","Retinoid 9CUAB30","Desethyl atrazine","Deferiprone","Acipimox","Prostaglandin A1","Norcholic acid","Valeramide","2-Octenoylcarnitine","Tetrahydropteroyltri-L-glutamic acid","Proanthocyanidin","Acetyl-N-formyl-5-methoxykynurenamine","L-Dilinoleoyllecithin","Loliolide","o-Cresol","Penicillanic acid","cyclo(L-Pro-L-Val)","PC(18_1(9Z)_16_0)","1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","5-Methyl-2-phenyl-2-hexenal","Dehydroxypaxilline","PC(P-18_0_20_0)","N-Methylvaline","TG(18_3(9Z,12Z,15Z)_18_2(9Z,12Z)_18_4(6Z,9Z,12Z,15Z))","L-Tyrosine","L-galacto-2-Heptulose","Stearic acid amide","Diisopropyl sulfide","Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-","1-Naphthylamine","Undecaprenyl diphosphate","1-Methylpyrrolidine-2-carboxylic acid","Homo-L-arginine","Chlorphenesin","Betonicine","(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate","L-Phenylalanine","Sucrose","2,4-Toluenediamine","D-Alpha-aminobutyric acid","2-Benzofurancarboxaldehyde","N-(4-hydroxyphenyl)ethoxycarbothioamide","N-Oxide abiraterone sulfate","N-[(Z)-1,3-Dihydroxyoctadec-4-en-2-yl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide","Cer(d18_0_20_0)","(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol","(R)-Amphetamine","1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","N-Chlorophenylalanine","ax-4'-Hydroxy-3-'-methoxymaysin","Auristatin E","Diphenoxylate","Ecgonine","Spermidine","3-Dehydrosphinganine","Sphingosine","H-Gly-Arg-Gly-Asp-D-Ser-Pro-OH","1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine","Isokobusone","Terguride","2-Aminonaphthalene","Carbendazim","6-Methoxymellein","3-Epidemissidine","Benzenepropanenitrile","Quinone","Terephthalic acid","5-Methylthioribose","N-Undecanoylglycine","Aspartylleucine","2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol","Propionylcarnitine","Buprenorphine","Lysine","N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate","L-kynurenine","N-Chloroacetyl-2,6-diethylaniline","L-Prolinamide","5,9_6,9-Diepoxy-3-megastigmene","Phenylacetaldehyde","2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-","Vinaginsenoside R3","Paeonol","9-Hydroxyfluorene","17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol","Piribedil","3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide","3-Oxobutanoylcarnitine","Cyclohexanone","delta-Valerobetaine","Benzimidazole","1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","trans-Geranylgeranylbixin","2-Ethylacrylic acid","PC(14_1(9Z)_20_4(5Z,8Z,11Z,14Z))","1,2-Diacylglycerol-LD-PI-pool","2-Chlorobenzoic acid","2-hydroxyphytanic acid","PC(15_0_14_1(9Z))","Benz(cd)indole-6-carboxamide, 4-(dipropylamino)-1,3,4,5-tetrahydro-","D-Pantethine","Cer(d18_1_24_1(15Z))","(+)-Butaclamol","Citicoline","O-Decanoyl-L-carnitine","Aspartate","1-O-Hexadecyl-sn-glycero-3-phosphocholine","2-Pentenoic acid","Guanidinoacetate","PC(20_5(5Z,8Z,11Z,14Z,17Z)_18_4(6Z,9Z,12Z,15Z))","Nicardipine","Etidronic acid","2-Phenylacetamide","(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol","Valine","Stachydrine","Uroporphyrinogen III","N-Acetylleucine","Galaxolide","N-Acetyl-L-arginine","3-Formyl-6-hydroxyindole","Tetrahydrofuran","2-Methylglutaconic acid","L-Hexanoylcarnitine","Paromomycin","Thiabendazole","Gyromitrin","N-(2-hydroxyethyl)icosanamide","3-Methylene-indolenine","5-Hexyltetrahydro-2-furanoctanoic acid","Theobromine","4-Hydroxycinnamaldehyde","Pralatrexate","De-O-methyldihydrosterigmatocystin","Phenylalanyltryptophan","DG(18_1(9Z)_18_1(9Z)_0_0)","Leu-Leu","gamma-Glutamylvaline","O-linoleyl-L-carnitine","3-chlorobenzoate","Dihydroergocornine","Proglobeflowery acid","Flavin adenine dinucleotide","Dulciol A","2-Chloro-5-methyl-cis-dienelactone","Isothiocyanates","Cyclopentanone","1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine","Farnesal","1-Aminocyclopropane-1-carboxylic acid","Lotaustralin","3-Hydroxy-4,5-dimethyl-2(5H)-furanone","Deoxyuridine triphosphate","1-deoxy-L-glycero-tetrulose 4-phosphate","4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid","cis-2-Octene","6-Hydroxynicotinic acid","PC(18_2_20_4)","19,21-Dihydroxy-22-[5-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid","Ginsenoside Rh2","Floionolic acid","Clopyralid","Asp-Phe","1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine","Ginsenoside Rh4","Glycolithocholate sulphate","2,3,5-Trichloromaleylacetate","(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid","Nifekalant","Misonidazole","2-Propenyl cyclohexanebutanoate","Isoquinoline","Nitrosobenzene","Methylarsonate","Homostachydrine","Capsiamide","Threonylglutamine","Morphine-3-glucuronide","Galactosylhydroxylysine","3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate","1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine","Risedronate","Ecgonine methyl ester","Trimethylamine N-oxide","LysoPE(18_2_0_0)","Genistein","Vardenafil","Chrysene","1-Methylhistidine","PE-NMe(16_0_16_0)","Hydrocortisone","Cyclo(L-leucyl-L-phenylalanyl)","LysoPC(18_0_0_0)","Allysine","PC(22_6(4Z,7Z,10Z,13Z,16Z,19Z)_18_4(6Z,9Z,12Z,15Z))","Sphinganine","1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine","4-Hydroxyquinazoline","Acetyl-L-Carnitine","1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol","(N-acetylneuraminosyl(a2-6)lactosamine)","7,8-Dihydroneopterin","PE(P-18_0_22_6(4Z,7Z,10Z,13Z,16Z,19Z))","Tryptoquivaline","5H-Cyclopentapyrazine","Prostaglandin J2","Escitalopram","Cholecalciferol","Dobutamine","p-Methyl acetophenone","beta-Carotinal","Nootkatone","Capsorubin","Stercobilin","(1R,4S,5R)-4-Thujanol","2-Hydroxyglutaric acid","PC(14_1(9Z)_22_2(13Z,16Z))","2-Stearoyl-sn-glycero-3-phosphocholine","1-Methyladenosine","LysoPC(16_1(9Z)_0_0)","Decylubiquinone","Boceprevir","APC","3-Amino-4-hydroxybenzoic acid","5-(3-Pyridyl)-2-hydroxytetrahydrofuran","Maltol","Isoflurophate","Fosinopril","Progesterone","Dihydromorphine","Benzylamine","Epothilone B","1-Pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine","1-Methylhistamine","1-Chloro-3-nitrobenzene","proline dl-form","Ile-Asp","Allantoin","LysoPC P-18_1","3,3'-Dithiobis[2-methylfuran]","Spiroxamine","Methylcyclopentane","Tetraethylene Glycol","Geranylacetone","L-Threonine","Hypromellosum","5-Hydroxyvalproic acid","3-Hexaprenyl-4-hydroxybenzoic acid","2-Hydroxyadipic acid","8-Amino-7-oxononanoic acid","Sphingosine 1-Phosphate","3-O-Sulfogalactosylceramide (d18_1_16_0)","Isoliquiritigenin","Pyridoxal","N-Acetylcarnosine","L-alpha-Phosphatidylcholine, beta-(cis-8,11,14-eicosatrienoyl)-gamma-O-hexadecyl","Tranylcypromine","Falcarindiol","Phytol","FAL 8_1","Methionine","Barbituric acid","Vitamin D2 3-glucuronide","Catechol","PC(16_0_15_0)","Hematoporphyrin","Lauroylcarnitine","6-hydroxychlorzoxazone","Chenodeoxycholyllysine","Elamipretide","Graveolinine","2-Acetyloxazole","N2,N5-Diacetylornithine","Sodium dihydrogen citrate","PC(18_3(9Z,12Z,15Z)_18_3(9Z,12Z,15Z))","Dihydroceramide","1-Chloro-2-nitrobenzene","4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol","L-Histidinol","Gabapentin","3-Sulfopyruvic acid","Coproporphyrinogen III","Fenfluramine","Cuscohygrine","Methoxsalen","PC(O-16_0_20_5(5Z,8Z,11Z,14Z,17Z))","S-Trichlorovinyl-N-acetylcysteine","Hyperforin","Withaperuvin G","Adrenoyl ethanolamide","1-Phenyl-1,4-epoxy-1h,4h-naphtho[1,8-de][1,2]dioxepin","N-Desmethyltamoxifen","(S)-3-Methylthiohexyl acetate","PC(16_1(9Z)_18_1(9Z))","Orlistat","N-Hydroxy-1-aminonaphthalene","L-Tryptophan","Triethanolamine","4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol","Argininic acid","PC(20_4(5Z,8Z,11Z,14Z)_15_0)","Niacinamide","2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1-propanol","Dopamine","1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","Deoxyuridine","PC(14_1(9Z)_20_3(8Z,11Z,14Z))","Kojic acid","4-Guanidinobutanoic acid","5-hydroxypentanoyl-CoA","Tamoxifen","1-Myristoyl-sn-glycero-3-phosphocholine","Prolylhydroxyproline","Cholesterol","Nifedipine","LysoPC(20_3(5Z,8Z,11Z)_0_0)","Testosterone","TG(18_2(9Z,12Z)_18_1(9Z)_18_4(6Z,9Z,12Z,15Z))","4,8 Dimethylnonanoyl carnitine","(5S,8S,10Ar)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide","Dimethylallylpyrophosphate","TG(16_0_20_3n6_22_6(4Z,7Z,10Z,13Z,16Z,19Z))","4-Chlorophenoxyacetic acid","Racemethionine","N-oleoylglycine","PC(16_0_P-16_0)","1,7-Dimethyluric acid","Norleucine","1-Piperideine-2-carboxylic acid","LysoPC(22_6_0_0)","Aprobarbital","3-Methylbenzaldehyde","(3S,8aS)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione","Quinaldic Acid","Creatine","Aminocaproic acid","Cortol","Phytosphingosine","Ethyl arachidonate","Hippuric Acid","Ethylene diamine tetra (methylene phosphonic acid)","Eduleine","Phenylac-Gln-OH","(R)-5-Diphosphomevalonic acid","Dihydrojasmonic acid","Retapamulin","Tricrocin","S-Methyl methanesulfinothioate","2-[[3-[[2-(Dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline","Ethosuximide","L-Cystine","Octinoxate","9,10-Dihydroxystearic acid","Protoheme","2,4,5-Trihydroxybutyrophenone","Levamisole","Cinnamyl acetate","N2,N2-Dimethylguanosine","Aerobactin","Dicofol","TG(22_2(13Z,16Z)_15_0_18_4(6Z,9Z,12Z,15Z))","(R)-Myclobutanil","Ceanothine D","Methylphosphonic acid","5-(Methylthio)-2,3-dioxopentyl phosphate","2,4-Dihydroxythiazole","7,8-diaminopelargonate","Myristic acid","(3S)-3-Amino-4-aminooxy-4-oxobutanoic acid","2-Hydroxycinnamic acid, (2E)-","N6-Carbamoyl-L-threonyladenosine","Hypoxanthine","isochorismate","L-Arginine","Methyl Jasmonate","5-Hydroxyisourate","Methyl Nicotinate","3-Oxoadipyl-CoA","Cysteic acid","Quercetin 3-O-xylosyl-rutinoside","Dehydrophytosphingosine","N8-Acetylspermidine","Melagatran","Docosatetraenylethanolamide","N6,N6,N6-Trimethyl-L-lysine","phe-phe","5-Hydroxyindole","Nebivolol","His-Trp","L-Glutamic acid","Zerumbone","Tropine","Cyanidin 3-(6'-p-coumarylsambubioside)","2-(3-Phenylpropyl)Pyridine","15(S)-HPETE","Leucyl-Lysine","3-amino-3-(4-hydroxyphenyl)propanoic acid","Dihydropteridine","Nicotinuric acid","N-Acetyl-1-methylhistidine","Junosidine","D-Proline","Squamocin K","L-Serine","Eremopetasin sulfoxide","5-Hydroxylorcaserin","O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine","(ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid","3H-Phenoxazine","Kanzonol K","2-Undecyl-4(1H)-quinolinone","L-Histidine trimethylbetaine","Uroporphyrin I","Dibutyl disulfide","O-acetylhomoserine","Dioleoyl phosphatidylserine","PC(18_2(9Z,12Z)_16_1(9Z))","1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide","5-Aminoimidazole-4-carboxamide","D-methionine (S)-S-oxide","Dihydroxyacetone phosphate","Magnesium octadecanoate","Butanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-","3,4-Dimethylbenzoic acid","PC(20_5(5Z,8Z,11Z,14Z,17Z)_20_5(5Z,8Z,11Z,14Z,17Z))","(3S)-3-hydroxycyclocitral","Protocatechuic acid","2,4-Dinitroanisole","PC(22_5(7Z,10Z,13Z,16Z,19Z)_22_5(7Z,10Z,13Z,16Z,19Z))","Guan-fu base A","Mesoxalic acid","Histidine","Tetrahydrobiopterin","(3a,5b,7a)-3,7-Dihydroxycholan-24-oic acid","Violaxanthin","Vitamin A2 aldehyde","6-Oxocyclohex-1-ene-1-carboxyl-CoA","Adrenorphin","Phylloquinol","3-Thiomorpholinecarboxylic acid","Pentadecanoylcarnitine","Caffeine","Hovenidulcigenin A","1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine","Myristoylcarnitine","2-Amino-3-phosphonopropionic acid","Concanamycin","1-O-Palmitoyl-2-O-linoleoyl-D-glycerol","Tetrahydropteridine","Arachidonyl-2-chloroethylamide","6-Aminopenicillanic acid","Arbutin","Vanylglycol","Nafazatrom","N-Demethyl Mifepristone","thiazolinedione","1-O-Octadecyl-SN-glycero-3-phosphocholine","3-Hexenedioic acid","Agrocybin","Tetramethylpyrazine","PC(18_3(6Z,9Z,12Z)_20_4(5Z,8Z,11Z,14Z))","Theophylline","CE(16_2)","2,4,14-Eicosatrienoic acid isobutylamide","3-(3,5-Dichlorophenyl)-4-hydroxy-1,3-thiazol-2-one","Fructose-1,6-Diphosphate","4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol","PC(16_0_18_1(9Z)-O(12,13))","Glutarylcarnitine (C5-DC)","Platelet-activating factor","D-4-O-Methyl-myo-inositol","LysoPC(16_0_0_0)","N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan","Lofexidine","Quinoline-4-carboxylic acid","Cer(d18_0_26_0)","Penitrem D","17a-Hydroxypregnenolone","alpha-Allocryptopine","Lacinilene C","4-Fluoromuconolactone","(1R,9R,13R)-1,13-Dimethyl-10-[[(2R)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol","N'-nitrosonornicotine","1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine","2-Decaprenyl-6-methoxyphenol","Indoleacetic acid","Tridemorph","L-Tryptophan betaine","Hydroxyhydroquinone","TG(18_3(9Z,12Z,15Z)_18_2(9Z,12Z)_18_3(9Z,12Z,15Z))","Methionine Sulfoxide","7alpha-Hydroxy-3-oxo-4-cholestenoic acid","Edaravone","Pyridoxamine","3beta-Dihydroxymarasmene","1,2,3,4-Tetrachlorobenzene","6b-Hydroxymethandienone","4-(Trimethylammonio)butanoate","Methyl sulfate","Xanthine","Moxidectin","Tocainide","Cordycepin","Azelnidipine","Antheraxanthin A","1-Isopropyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-6-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole-4-carboxamide","PC(18_3(6Z,9Z,12Z)_18_3(6Z,9Z,12Z))","Urea, N-butyl-N'-(2-(3-(5-ethyl-4-phenyl-1H-imidazol-1-yl)propoxy)-6-methylphenyl)-","2-(2-Methylpropyl)pyridine","1-Stearoylglycerophosphoserine","2-(2-Butoxyethoxy)Ethanol","MG(18_1(9Z)_0_0_0_0)","zeta-Carotene epoxide","PC(14_0_18_1(11Z))","Asparagusic acid","Nicotinic acid","bismuth sucrose octasulfate","1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine","Asolectin","PC(18_2(9Z,12Z)_P-18_1(9Z))","Amrinone","N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-YL]ethyl}-N-isopentylbenzenesulfonamide","7-Methylxanthosine","Indoline","Palmitoyl Ara-C","Antibiotic 205t3","Acolongifloriside K","PC(15_0_20_4)","trans-O-Methylgrandmarin","(Z)-S-1-Propenyl methanesulfinothioate","PC(18_3(6Z,9Z,12Z)_18_4(6Z,9Z,12Z,15Z))","Asymmetric dimethylarginine","8-Hydroxyguanine","Pipecolic acid, (-)-","Mercaptopurine","Liquid thiophthene","3-Butylpyridine","PC(18_1(9Z)_18_0)","LysoPC(18_3(6Z,9Z,12Z)_0_0)","3-Methylbutyl benzoate","3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine","Pyrene","1-Pyrroline-5-carboxylic acid","LysoPC(22_5_0_0)","1,2-Dihexadecanoyl-sn-glycero-3-phosphoethanolamine","Irbesartan","3,7-Dihydroxy-12-oxocholanoic acid","2-Sulfamoylacetic Acid","LysoPC(20_4(5Z,8Z,11Z,14Z)_0_0)","6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin","Fluorapacin","Galacturonic acid","Bilirubin diglucuronide","Protoporphyrin IX","Asarone","6a, 3'-p-Dihydroxypaclitaxel","Sarsasapogenin","Heptadecanoyl carnitine","3-hydroxyoctanoyl carnitine","3-Oxohexanoyl-CoA","PC 34_3","2-Piperidone","(3-Phenoxyphenyl)methanol","3-(Indol-3-yl)propionic acid","Phthalic anhydride","Salvigenin","Oxybenzone","4-Chlorobenzaldehyde","magnesium-protoporphyrin IX 13-monomethyl ester","3-Hydroxybutyrylcarnitine","3-Hydroxyneogrifolin","Isonicotinylglycine","4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid","4-Hydroxyphenylpyruvic acid","2,5-Dihydro-2,4,5-trimethylthiazole","ST 19_2;O3","3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone","1,3-Dimethyluracil","Gamma-linolenyl carnitine","2-Isopropylphenyl methylcarbamate","Epsilon-caprolactam","Spirolide C","D-Ornithine","Spirolide D","PKG Inhibitor","17a,20a-Dihydroxycholesterol","Homomethionine","TG(18_3(6Z,9Z,12Z)_18_2(9Z,12Z)_18_3(6Z,9Z,12Z))","LysoPC(18_3(9Z,12Z,15Z))","Imidazoleacetic acid","3,4-Dihydroxyphenylglycol","Quercetin 3-sophorotrioside","2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid","2-Pentanamido-3-phenylpropanoic acid","2,5-Furandicarboxylic acid","3-Amino-5-hydroxybenzoic acid","Irinotecan","Indole-3-carboxylic acid","Chlorpheniramine","1-Heptadecanoyl-sn-glycero-3-phosphocholine","Decyl acetate","1-Hydroxypyrene","Norvaline","O-Sulfotyrosine","22-Acetylpriverogenin B","Glutaryl-CoA","PC(16_0_22_5(4Z,7Z,10Z,13Z,16Z))"],"additional_accession":[]},"is_claimable":false,"name":"Digital Phenomics and Dual-Fluid Metabolomics for Precision Stratification of Diabetic Kidney Disease: A Multicenter Cohort Study","description":"We conducted a prospective-retrospective two-center cohort study involving 364 participants. The Discovery Cohort (n=282) enrolled from two centers consisted of healthy controls (n=80), patients with type 2 diabetes mellitus (T2DM) without kidney disease (n=102), and patients with confirmed DKD (n=100). An independent External Validation Cohort (n=82) was established to assess model generalizability. We developed a standardized 'Digital Urine' analysis pipeline using computer vision algorithms to quantify chromatic and foam stability phenotypes. Concurrently, dual-fluid metabolomics (untargeted LC-MS/MS and targeted 1H-NMR) was performed on serum and urine to map metabolic flux. The primary outcome was the construction and validation of a multi-modal disease classifier. The secondary outcome was the identification of metabolite flux ratios reflecting renal tubular transporter function.
","dates":{"publication":"2026-03-09","submission":"2026-03-09"},"accession":"MTBLS14007","cross_references":{"HMDB":["HMDB0240650","HMDB0000216","HMDB0001084","HMDB0000073","HMDB0000670","HMDB0124942","HMDB0002243","HMDB0003364","HMDB0001553","HMDB0130547","HMDB0012175","HMDB0304521","HMDB0000856","HMDB0002894","HMDB0002064","HMDB0000725","HMDB0034235","HMDB0004305","HMDB0062503","HMDB0001229","HMDB0001336","HMDB0004095","HMDB0059905","HMDB0060677","HMDB0029637","HMDB0029698","HMDB0003905","HMDB0001431","HMDB0004077","HMDB0240311","HMDB0060485","HMDB0006284","HMDB0000194","HMDB0015451","HMDB0061115","HMDB0001014","HMDB0061666","HMDB0001301","HMDB0259297","HMDB0012130","HMDB0003180","HMDB0301818","HMDB0062656","HMDB0004225","HMDB0060362","HMDB0041799","HMDB0013744","HMDB0000638","HMDB0036565","HMDB0002199","HMDB0004827","HMDB0033910","HMDB0000306","HMDB0059803","HMDB0012289","HMDB0059933","HMDB0030003","HMDB0041833","HMDB0062402","HMDB0000719","HMDB0000078","HMDB0004291","HMDB0304236","HMDB0062266","HMDB0000259","HMDB0002340","HMDB0062765","HMDB0004259","HMDB0060336","HMDB0002055","HMDB0302720","HMDB0035243","HMDB0038318","HMDB0000510","HMDB0032913","HMDB0012161","HMDB0060398","HMDB0005175","HMDB0060337","HMDB0001087","HMDB0134042","HMDB0001473","HMDB0013900","HMDB0000715","HMDB0004461","HMDB0130987","HMDB0013675","HMDB0012819","HMDB0246080","HMDB0033460","HMDB0001551","HMDB0000305","HMDB0000806","HMDB0012234","HMDB0060345","HMDB0001983","HMDB0000698","HMDB0059639","HMDB0005765","HMDB0001509","HMDB0060366","HMDB0004824","HMDB0246174","HMDB0304013","HMDB0003069","HMDB0033249","HMDB0001081","HMDB0014613","HMDB0000631","HMDB0001412","HMDB0012219","HMDB0004611","HMDB0012134","HMDB0001180","HMDB0060281","HMDB0034240","HMDB0062619","HMDB0003193","HMDB0011676","HMDB0001398","HMDB0004684","HMDB0059643","HMDB0029611","HMDB0002032","HMDB0134009","HMDB0000338","HMDB0006771","HMDB0012710","HMDB0037759","HMDB0249229","HMDB0006774","HMDB0060434","HMDB0001198","HMDB0000235","HMDB0001138","HMDB0001227","HMDB0013139","HMDB0011734","HMDB0002829","HMDB0029965","HMDB0000370","HMDB0012209","HMDB0012258","HMDB0002005","HMDB0000343","HMDB0250194","HMDB0246393","HMDB0029459","HMDB0003263","HMDB0004026","HMDB0006834","HMDB0033994","HMDB0001091","HMDB0003869","HMDB0000429","HMDB0000673","HMDB0036748","HMDB0060426","HMDB0060441","HMDB0000153","HMDB0006819","HMDB0005015","HMDB0031200","HMDB0014378","HMDB0302517","HMDB0032974","HMDB0244419","HMDB0301710","HMDB0244507","HMDB0014522","HMDB0038120","HMDB0061048","HMDB0034959","HMDB0247461","HMDB0040009","HMDB0035601","HMDB0012884","HMDB0029742","HMDB0242166","HMDB0028822","HMDB0034315","HMDB0255918","HMDB0249612","HMDB0029039","HMDB0039234","HMDB0031985","HMDB0030091","HMDB0061040","HMDB0248164","HMDB0000329","HMDB0005802","HMDB0033945","HMDB0303905","HMDB0041345","HMDB0015107","HMDB0014917","HMDB0036616","HMDB0302158","HMDB0061903","HMDB0015563","HMDB0061636","HMDB0040014","HMDB0038277","HMDB0028743","HMDB0030704","HMDB0251584","HMDB0246392","HMDB0031520","HMDB0029741","HMDB0032193","HMDB0259757","HMDB0034212","HMDB0037865","HMDB0034363","HMDB0061943","HMDB0253587","HMDB0246599","HMDB0011564","HMDB0040890","HMDB0254597","HMDB0000459","HMDB0031667","HMDB0029314","HMDB0014563","HMDB0036642","HMDB0036459","HMDB0015496","HMDB0004998","HMDB0256822","HMDB0029472","HMDB0036769","HMDB0002210","HMDB0032025","HMDB0034080","HMDB0242583","HMDB0032133","HMDB0037217","HMDB0002697","HMDB0015652","HMDB0244918","HMDB0250263","HMDB0015144","HMDB0059966","HMDB0031593","HMDB0303206","HMDB0003647","HMDB0302544","HMDB0034167","HMDB0251216","HMDB0062407","HMDB0031195","HMDB0029339","HMDB0039658","HMDB0032608","HMDB0037413","HMDB0030290","HMDB0247230","HMDB0013068","HMDB0029137","HMDB0250135","HMDB0014890","HMDB0034170","HMDB0006236","HMDB0040632","HMDB0038984","HMDB0033871","HMDB0040198","HMDB0031303","HMDB0245216","HMDB0014523","HMDB0032947","HMDB0059602","HMDB0000016","HMDB0036820","HMDB0033364","HMDB0245137","HMDB0141782","HMDB0006115","HMDB0014511","HMDB0039571","HMDB0015177","HMDB0013941","HMDB0001123","HMDB0031310","HMDB0000905","HMDB0059997","HMDB0243970","HMDB0005809","HMDB0032017","HMDB0250649","HMDB0041201","HMDB0301804","HMDB0254095","HMDB0002302","HMDB0000832","HMDB0033895","HMDB0031625","HMDB0249962","HMDB0243498","HMDB0251387","HMDB0015503","HMDB0001086","HMDB0035100","HMDB0303913","HMDB0015097","HMDB0255381","HMDB0028735","HMDB0036470","HMDB0001256","HMDB0000904","HMDB0245827","HMDB0001261","HMDB0039606","HMDB0006005","HMDB0059891","HMDB0029668","HMDB0001480","HMDB0013314","HMDB0031855","HMDB0012880","HMDB0002043","HMDB0000679","HMDB0034811","HMDB0015516","HMDB0243932","HMDB0031671","HMDB0002108","HMDB0031565","HMDB0060360","HMDB0246508","HMDB0033197","HMDB0256832","HMDB0040730","HMDB0032540","HMDB0059834","HMDB0059924","HMDB0029659","HMDB0002237","HMDB0040986","HMDB0248707","HMDB0251214","HMDB0031984","HMDB0140425","HMDB0012322","HMDB0243964","HMDB0036790","HMDB0304070","HMDB0259167","HMDB00018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