Metabolite identification was performed using the PerSonBio Next-Generation Metabolomics Database (PSNGM), which integrates multiple resources, including an in-house database built from authentic standards, the mzCloud library (https://www.mzcloud.org/), LIPID MAPS (https://www.lipidmaps.org/), the Human Metabolome Database (HMDB, https://hmdb.ca/), the MassBank of North America (MoNA, https://mona.fiehnlab.ucdavis.edu/), the NIST_2020_MS/MS library, and an AI-predicted MS/MS spectral library.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed on an ACQUITY UPLC HSS T3 column (100 Å, 1.8 μm, 2.1 mm × 100 mm). The flow rate was set at 0.4 mL/min, and the column temperature was maintained at 40 °C. The autosampler temperature was kept at 8 °C, and the injection volume was 2 μL. For both positive and negative ion modes, mobile phase A consisted of 0.1% formic acid in water, and mobile phase B consisted of acetonitrile containing 0.1% formic acid.
"],"publication":["Exploring the Impact of Sleep Deprivation on the Characteristics and Associations of Oral-Gut Microbiota in Adolescents with Comorbidity of Dental Caries and Obesity."],"submitter_name":["Yimin Li"],"submitter_affiliation":["School of Stomatology, Jinzhou Medical University"],"organism_part":["saliva"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["After transferring 400 μL of the sample into a 2 mL centrifuge tube, it was rapidly frozen in liquid nitrogen and lyophilized. Then, 200 μL of pre-chilled methanol:acetonitrile (1:1, v/v) was added, followed by vortexing for 30 seconds. The tube was placed at -20 °C for 30 minutes and centrifuged at 12,000 rpm for 10 minutes at 4 °C. The supernatant (200 μL) was collected and concentrated to dryness under vacuum. The residue was reconstituted with 150 μL of 50% methanol containing 5 ppm 2-chlorophenylalanine, vortexed for 30 seconds, and centrifuged again under the same conditions. The supernatant was filtered through a 0.22 μm membrane, and the filtrate was collected into a sample vial. For QC preparation, 10–20 μL from each sample filtrate was mixed to form one QC sample; no QC was prepared for 11 or fewer samples. The QC sample was used to assess instrument stability and data reliability.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14395"],"author":["Yimin Li. School of Stomatology, Jinzhou Medical University. 15896688485@139.com."],"data_transformation_protocol":["The raw data files in .raw format were imported into MS-DIAL software (version 4.9.221218) for subsequent data processing, including peak extraction, alignment, filtering, and metabolite identification. Peaks that were not detected in more than 50% of the QC samples were filtered out. Missing values were filled using the gap filling algorithm implemented in the software, followed by data normalization.
"],"study_factor":["Sleep deprivation"],"submitter_email":["15896688485@139.com"],"sample_collection_protocol":["Saliva samples were collected from two experimental groups: the COO group (caries-obesity group) and the COSO group (caries-obesity-sleep deprivation group). The saliva obtained from the COO group was designated as COO saliva, while that from the COSO group was designated as COSO saliva. All samples were processed and stored under standardized conditions prior to further analysis.
"],"omics_type":["Metabolomics"],"study_design":["Sleep Deprivation","saliva","dental caries","Metabolomics","Oral Microbiome","untargeted analysis","Thermo Scientific Vanquish Flex UHPLC System","Thermo Scientific Orbitrap Exploris 120","Homo sapiens","experimental blank","obesity","untargeted metabolite profiling"],"curator_keywords":["dental caries","Sleep Deprivation","saliva","Metabolomics","Oral Microbiome","untargeted analysis","Thermo Scientific Vanquish Flex UHPLC System","Thermo Scientific Orbitrap Exploris 120","Homo sapiens","experimental blank","obesity","untargeted metabolite profiling"],"mass_spectrometry_protocol":["Mass spectrometry analysis was performed on a Thermo Orbitrap Exploris 120 mass spectrometer controlled by Xcalibur software (version 4.7, Thermo Fisher Scientific). Data-dependent acquisition (DDA) mass spectrometry data were collected in both positive and negative ion modes. A heated electrospray ionization (HESI) source was used with spray voltages set at 3.5 kV (positive mode) and -3.0 kV (negative mode). The sheath gas flow rate was 40 arb, and the auxiliary gas flow rate was 10 arb. The capillary temperature was maintained at 320 °C, and the auxiliary gas heater temperature was set at 300 °C. Full MS resolution was 60,000 over a scan range of 70-1000 m/z, with an AGC target set to Standard and a maximum injection time (Max IT) of 100 ms. The top 4 precursor ions were selected for MS/MS fragmentation with a dynamic exclusion time of 4 seconds. The MS/MS resolution was 15,000, the HCD collision energy was set at 30%, the AGC target was Standard, and the Max IT was set to Auto.
All formal samples and QC samples were analyzed using the chromatographic and mass spectrometric methods described above. Before formal sample injection, 2-4 QC samples were injected to equilibrate the system. During the analytical run, one QC sample was injected after every 6-12 samples. For 11 or fewer samples, no QC sample was included. These QC samples were used for subsequent data evaluation and quality control.
"],"metabolite_name":["(7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one","Phenol sulfate","Benzoylphenylalanyl-alanyl-proline","Gentianose","5-5'-Dehydrodiferulic acid","Leukotriene F4","Mebendazole","PA(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Isolimonic acid glucoside","Sherry lactone","5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol","Phenylalanylleucine","Myxin","4-Amino-2,6-dinitrotoluene","Scopoletin","3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide","Ajulemic acid","3-hydroxyundecanoic acid","(S)-3-(6-Methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid","3-Hydroxydodecanoic acid","2-[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetic acid","Phenylalanyltyrosine","(+/-)9(10)-DiHOME","L-3-phenyllactic acid","PA(10:0/PGD2)","O-Phenolsulfonic acid","Kojic acid","Isoleucylisoleucine","4-Methyl-2-oxovaleric acid","4,4'-Sulfonyldiphenol","Cyheptamide","URIC ACID","Isoferulic acid","LysoPE(16:1(9Z)/0:0)","isocitric acid","Glycyl-prolyl-glutamic acid","Glycerol 3-phosphate","Roxindole","Ala-Ile","Diphenyl sulfone","Cannabidiolic acid","Prostaglandin F3alpha","PMPA","Apitolisib","14-Fluoro-6-thiaheptadecanoic acid","Xanthotoxol","D-(-)-Erythrose","1,2-Benzisothiazolin-3-one","3,4-Methylenepimelic acid","N-(N-Formyl-L-methionyl)-L-phenylalanine","Sporidesmin","Pongamol","Asparaginyl-Phenylalanine","Spiramycin","(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid","CDP-DG(16:0/18:1(11Z))","tamibarotene","dihydrocitrinone","(1R,9S)-10-(Cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one","Succinic acid","1-Carboxyethylphenylalanine","PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))","N-Methylrosmaricine","4-Dodecylbenzenesulfonic acid","PGP(5-iso PGF2VI/20:3(5Z,8Z,11Z))","Myricanone","Avenalumin II","PA(18:4(6Z,9Z,12Z,15Z)/PGJ2)","alpha-D-(+)-mannose-1-phosphate","CDP-DG(i-12:0/20:3(5Z,11Z,14Z)-O(8,9))","trehalose 6-phosphate","D-Allose","Agavoside A","1,3-Dithiole-2-thione","N-Lauroylglycine","Gamma-delta-Dioxovaleric acid","N-Lauroyl Glutamic acid","TREHALOSE","1-((1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine","N-(1-Carboxy-3-carboxanilidopropyl)alanylproline","Fructose","p-Cresylsulfate","Myrsinone","4-O-Methylgallic acid","Tyrosyl-Proline","Serylleucine","Lenapenem","2,2,4,4-Tetrafluoro-6-amino-1,3-benzodioxene","Methylglutarylcarnitine","Valylvaline","N-Acetyl-D-galactosamine","Sedoheptulose 1,7-bisphosphate","Ecabet","Trp-Leu","Merodesmosine","Phosphonoacetate","D-(+)-Glucose","Taurocholic acid","gamma-Glutamylleucine","Myrmicacin","LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)","Chlorthal","2-Isopropylmalic acid","2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate","N-Undecanoylglycine","Phenylalanylhistidine","Glucose-1-phosphate","3-[[(2S)-3-(4-Phenylphenyl)-2-(phosphonomethylamino)propanoyl]amino]propanoic acid","10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dibutylamino)ethyl)-","CDP-DG(i-12:0/5-iso PGF2VI)","Chlorocarbonic acid","3-hydroxypentadecanoic acid","Suberic acid","5-Benzylacyclouridine","Asp-Trp","4-Nitrophenol","(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","(+/-)-3-Hydroxynonanoic acid","3-Hydroxyoctanoic acid","Fluphenazine enanthate","D-Galactose","Tyrosyl-Isoleucine","Zanubrutinib","LysoPE(20:3(11Z,14Z,17Z)/0:0)","Salicylic acid","Dodecanedioic acid","(1S,2S,13R,21S)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol","Isomaltose","Physalolactone","val-phe","N-ACETYLNEURAMINATE","Citric acid","4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester","Chlorohydrin","3-Hydroxyhexadecanoic acid","Norgestrel","L-(-)-Phenylalanine","N-Acetyl-b-alanine","Minoxidil Glucuronide","LysoPG(16:0/0:0)","(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","(3alpha,5beta,7alpha)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-beta-D-Glucopyranosiduronic acid","N-Decanoylglycine","Thiabendazole","Leucyl-Tyrosine","(S)-Laudanosine","12S-HETE","{1-[2-(4-Carbamimidoyl-benzoylamino)-propionyl]-piperidin-4-yloxy}-acetic acid","SM(d19:1/LTE4)","2-hydroxyacrylic Acid","LysoPE(18:2(9Z,12Z)/0:0)","Vignatic acid B","N-Methylhydantoin","Flavan-3-ol","Leucylalanine","PGP(18:2(9Z,12Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))","Norethindrone acetate","PGP(18:3(6Z,9Z,12Z)/5-iso PGF2VI)","GLUCONIC ACID","1-[(trans-4-Aminocyclohexyl)methyl]-N-Butyl-3-(4-Fluorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-6-Amine","PGP(20:1(11Z)/TXB2)","3-hydroxytridecanoic acid","N-Undecylbenzenesulfonic acid","1,1-Dichloroethane","Undecanedioic acid","12R-HETE","Leucylleucyltyrosine","1h-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one","Leucic acid","Oxatomide","2H-1,2-Oxazin-3(4H)-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)dihydro-2-methyl-","BENPERIDOL","Monobutyl phthalate","(+/-)-Gingerol","(R)-3-Hydroxy myristic acid","(2S)-2-(3,8-Dimethylazulen-5-yl)propanoic acid","L-cis-Cyclo(aspartylphenylalanyl)","(R)-Pterosin B","PG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6))","7a-Hydroxyandrost-4-ene-3,17-dione","Acolbifene","Gly-Tyr","Hypothiocyanite","Azelaic acid","1,3,11(13)-Eudesmatrien-12-oic acid","PI(PGJ2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","trandolaprilat","(2S)-1-((2S)-2-(((1R)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid","DL-p-Hydroxyphenyllactic acid","1,3,5-Trihydroxy-10-methylacridone","2-[(2R)-2-Aminopropyl]-5-hydroxybenzoic acid","3-hydroxyheptanoic acid","2,2,2-Trichloroacetamide","alpha-D-Glucose-1,6-bisphosphate","Bergapten","purvalanol A","PA(20:4(5Z,8Z,11Z,14Z)-OH(16R)/20:5(5Z,8Z,11Z,14Z,17Z))","APC","Isopentenyladenine-9-N-glucoside","Lactic acid"],"additional_accession":[]},"is_claimable":false,"name":"Exploring the Impact of Sleep Deprivation on the Characteristics and Associations of Oral-Gut Microbiota in Adolescents with Comorbidity of Dental Caries and Obesity","description":"We conducted a cross-sectional study involving 85 adolescents aged 12–15 years, divided into healthy controls (HC), caries-obesity comorbidity (CO), and caries-obesity with sleep deprivation (COS) groups. Oral and fecal samples were collected for 16S rRNA gene sequencing, untargeted metabolomics, and SourceTracker analysis. Additionally, an animal study using Sprague-Dawley rats was performed to validate the findings, incorporating behavioral tests, Micro-CT, serum biochemistry, histology, and intestinal transcriptomics.","dates":{"publication":"2026-04-29","submission":"2026-04-29"},"accession":"MTBLS14395","cross_references":{"HMDB":["HMDB0000517","HMDB0000158","HMDB0011740","HMDB0028893","HMDB0003355","HMDB0000824","HMDB0028805","HMDB0000201","HMDB0000062","HMDB0037942","HMDB0004825","HMDB0001565","HMDB0004620","HMDB0000721","HMDB0000258","HMDB0011180","HMDB0003374","HMDB0013222","HMDB0000759","HMDB0028901","HMDB0028809","HMDB0000271","HMDB0000182","HMDB0028735","HMDB0000929","HMDB0000177","HMDB0029047","HMDB0244166","HMDB0251526","HMDB0000562","HMDB0000086","HMDB0000043","HMDB0000162","HMDB0000883","HMDB0251174","HMDB0000641","HMDB0028888","HMDB0041878","HMDB0029930","HMDB0061859","HMDB0001266","HMDB0028695","HMDB0028955","HMDB0012176","HMDB0029135","HMDB0028801","HMDB0011177","HMDB0034587","HMDB0037027","HMDB0002064","HMDB0000640","HMDB0001257","HMDB0000736","HMDB0246353","HMDB0028844","HMDB0094691","HMDB0001987","HMDB0013302","HMDB0001414","HMDB0245821","HMDB0245344","HMDB0247781","HMDB0303539","HMDB0259337","HMDB0004610","HMDB0002271","HMDB0040518","HMDB0028892","HMDB0000097","HMDB0001161","HMDB0244507","HMDB0000294","HMDB0008100","HMDB0011506","HMDB0302261","HMDB0240773","HMDB0033971","HMDB0000034","HMDB0256501","HMDB0029068","HMDB0258243","HMDB0028765","HMDB0034198","HMDB0028713","HMDB0034301","HMDB0031659","HMDB0005768","HMDB0032358","HMDB0031581","HMDB0259191","HMDB0028694","HMDB0253144","HMDB0028716","HMDB0000252","HMDB0028756","HMDB0001348","HMDB0031641","HMDB0011749","HMDB0243818","HMDB0028989","HMDB0028822","HMDB0011175","HMDB0029010","HMDB0029103","HMDB0001889","HMDB0008039","HMDB0029109","HMDB0012273","HMDB0003213","HMDB0029131","HMDB0000064","HMDB0253028","HMDB0028902","HMDB0028823","HMDB0028743","HMDB0256384","HMDB0011272","HMDB0244975","HMDB0002088","HMDB0252448","HMDB0033812","HMDB0002117","HMDB0251571","HMDB0304941","HMDB0028929","HMDB0029110","HMDB0011273","HMDB0000237","HMDB0029052","HMDB0257000","HMDB0029559","HMDB0028894","HMDB0029112","HMDB0028906","HMDB0028766","HMDB0001431","HMDB0028998","HMDB0028691","HMDB0029121","HMDB0029011","HMDB0032010","HMDB0259044","HMDB0000423","HMDB0002710","HMDB0028942","HMDB0002013","HMDB0028995","HMDB0000220","HMDB0249477","HMDB0000827","HMDB0259262","HMDB0255262","HMDB0011309","HMDB0001065","HMDB0254256","HMDB0029008","HMDB0008097","HMDB0029046","HMDB0004193","HMDB0258508","HMDB0029029","HMDB0032619","HMDB0245258","HMDB0240781","HMDB0001514","HMDB0245345","HMDB0002100","HMDB0246938","HMDB0245864","HMDB0029074","HMDB0257436","HMDB0001276","HMDB0000826","HMDB0245763","HMDB0010217","HMDB0039528","HMDB0002183","HMDB0304413","HMDB0001256","HMDB0245711","HMDB0251519","HMDB0248395","HMDB0002284","HMDB0000296","HMDB0250486","HMDB0001388","HMDB0247827","HMDB0004363","HMDB0000355","HMDB0029120","HMDB0258626","HMDB0011477","HMDB0001129","HMDB0029368","HMDB0304651","HMDB0038601","HMDB0244649","HMDB0243795","HMDB0005015","HMDB0004705","HMDB0002322","HMDB0248208","HMDB0033480","HMDB0243945","HMDB0028940","HMDB0029111","HMDB0247623","HMDB0029139","HMDB0001043","HMDB0013648","HMDB0252245","HMDB0243946","HMDB0259742","HMDB0259164","HMDB0061384","HMDB0256405","HMDB0245950","HMDB0059661","HMDB0029022","HMDB0253427","HMDB0060451","HMDB0254311","HMDB0015197","HMDB0028958","HMDB0041947","HMDB0248559","HMDB0029004","HMDB0036894","HMDB0010382","HMDB0000429","HMDB0246143","HMDB0004669","HMDB0011503","HMDB0011474","HMDB0249282","HMDB0254829","HMDB0251566","HMDB0031663","HMDB0000754","HMDB0032702","HMDB0255712","HMDB0255391","HMDB0252498","HMDB0000761","HMDB0094701","HMDB0245812","HMDB0012275","HMDB0252872","HMDB0252323","HMDB0004044","HMDB0251428","HMDB0251788","HMDB0028964","HMDB0034146","HMDB0029835","HMDB0250981","HMDB0000015","HMDB0256509","HMDB0003235","HMDB0000740","HMDB0036970","HMDB0249402","HMDB0000089","HMDB0247430","HMDB0029073","HMDB0015326","HMDB0029042","HMDB0253995","HMDB0246083","HMDB0243975","HMDB0245497","HMDB0249379","HMDB0013654","HMDB0031548","HMDB0247620","HMDB0242567","HMDB0028905","HMDB0028994","HMDB0246202","HMDB0034367","HMDB0243567","HMDB0253839","HMDB0014514","HMDB0028827","HMDB0302347","HMDB0256020","HMDB0252828","HMDB0004242","HMDB0255723","HMDB0013655","HMDB0011730","HMDB0251557","HMDB0003871","HMDB0243791","HMDB0006117","HMDB0006200","HMDB0011484","HMDB0039238","HMDB0000518","HMDB0243925","HMDB0028819","HMDB0258014","HMDB0033599","HMDB0255768","HMDB0257581","HMDB0243983","HMDB0244259","HMDB0248837","HMDB0253716","HMDB0250973","HMDB0028917","HMDB0254658","HMDB0061699","HMDB0060757","HMDB0014486","HMDB0062656","HMDB0035626","HMDB0006245","HMDB0244930","HMDB0033243","HMDB0256530","HMDB0302428","HMDB0241975","HMDB0000163","HMDB0301858","HMDB0254750","HMDB0059837","HMDB0003933","HMDB0289447","HMDB0252200","HMDB0037593","HMDB0254869","HMDB0247971","HMDB0240473","HMDB0000045","HMDB0251594","HMDB0243985","HMDB0254560","HMDB0241787","HMDB0029312","HMDB0252511","HMDB0060561","HMDB0005771","HMDB0249406","HMDB0244636","HMDB0247300","HMDB0013131","HMDB024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