Compound annotation utilized the METLIN reference database.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["Analytical separation was conducted with a Waters Acquity I-Class PLUS UPLC system coupled to an Xevo G2-XS QTof mass spectrometer (Waters Corp.). Chromatographic resolution occurred on an Acquity UPLC HSS T3 column (dimensions: 2.1 × 100 mm; particle size: 1.8 μm).
"],"publication":["Gut Microbiota Dysbiosis and Hypercholesterolemia Are Associated with Bone Metastasis in Non-Small Cell Lung Cancer."],"submitter_name":["Jia-Xuan Li"],"submitter_affiliation":["The Second Hospital of Dalian Medical University"],"organism_part":["feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Fecal samples collected from patients in the M and N groups were used for untargeted metabolomics analysis. Sample preparation was performed as follows: approximately 50 mg of each fecal sample was mixed with 500 μL of ice-cold methanol/acetonitrile/water (2:2:1, v/v/v), vortexed for 30 s, and sonicated at 4°C for 10 min. The mixture was then centrifuged at 14,000 × g for 15 min at 4°C. The supernatant was transferred to a new tube and dried under a nitrogen stream. The residue was reconstituted in 100 μL of acetonitrile/water (1:1, v/v) and filtered through a 0.22 μm membrane prior to LC-MS analysis.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15004"],"author":["Jia-Xuan Li. The Second Hospital of Dalian Medical University. ljx6279@163.com."],"data_transformation_protocol":["Raw spectral information was processed through Progenesis QI for feature extraction and alignment.
"],"study_factor":["Treatment"],"submitter_email":["ljx6279@163.com"],"sample_collection_protocol":["Fecal samples were collected from patients who had received no prior treatment. Immediately after collection, the samples were directly immersed in liquid nitrogen for storage. After 24 hours of freezing, they were transferred to a −80°C environment for long-term preservation. To ensure the reliability of subsequent research results, the appearance and color of the fecal samples were assessed prior to sequencing. All fecal samples uniformly presented a yellow color and soft texture, with no obvious differences observed among the different groups.
"],"omics_type":["Metabolomics"],"study_design":["Metabolomics","bone metastasis","ACQUITY UPLC I-Class PLUS","untargeted analysis","Gastrointestinal Microbiome","Homo sapiens","ACQUITY UPLC I-Class","non-small cell lung carcinoma","Cholesterol","untargeted metabolite profiling","Waters Xevo G2-XS QTof","experimental blank","feces"],"curator_keywords":["Metabolomics","bone metastasis","ACQUITY UPLC I-Class PLUS","untargeted analysis","Gastrointestinal Microbiome","Homo sapiens","ACQUITY UPLC I-Class","non-small cell lung carcinoma","Cholesterol","untargeted metabolite profiling","Waters Xevo G2-XS QTof","experimental blank","feces"],"mass_spectrometry_protocol":["MS detection alternated between ESI+ and ESI- modes from 10.5–12.0 min while adjusting solvent A from 5% to 95%. MSe data acquisition implemented collision energies of 2 V (low) and 10–40 V (high).
"],"metabolite_name":["Epothilone B","Acetylshikonin","Angiotensin III","1-Nonadecanoyl-glycero-3-phosphoethanolamine","Isoleucyl-Tyrosine","Leukotriene F4","PIP(16:0/PGF1alpha)","Ramipril","n-[2(r)-Hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide","3,3-Dimethylglutaric acid","Isopropyl beta-D-glucoside","Actein","15-Deoxy-Delta12,14-PGJ2","Deoxyinosine","Carnocin U I49","Armillyl everninate","Ginkgoic acid","DL-o-Tyrosine","3beta-Hydroxypregn-5-en-20-one sulfate","Gibberellin A12","huperzine b","4alpha-Methylzymosterol","2,3-Dinor-TXB2","Cohibin C","Phytyl diphosphate","Graecunin G","TELMISARTAN","Salicin","Polyoxyethylene 40 monostearate","Inuline","Cyclohexane-1-carboxylate","9(S)-HpODE","N-Myristoyl Lysine","Gingerglycolipid B","Prostaglandin E2","19(20)-EpDPE","Feruloylputrescine","PA(P-16:0/PGJ2)","Gentisic acid","Austalide I","Glutaric acid","Paclitaxel","L-Tryptophan","Partricin","5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid","(17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one","(9Z)-Octadecenoic acid","Solutol HS 15","3alpha,7alpha-Dihydroxy-5beta-cholestanate","Leukotriene B4","Atroviridin","Lidocaine","6,15-Diketo,13,14-dihydro-PGF1a","11-Dehydrocorticosterone","1,7-Dimethyluric acid","Praziquantel","Morphine","DG(PGF2alpha/19:0/0:0)","Cortol","dUDP","(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol","19-Hydroxytestosterone","3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid","(S)-9-Hydroxy-10-undecenoic acid","Antroquinonol","19-Oxotestosterone","Mupirocin","Cholyltryptophan","Digitoxin","Hydrogenated MDI","3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid","Uridine","Brassinolide","Mozenavir","Fluvoxamine","Colforsin","cis-3-Hexenyl phenylacetate","MG(15:0/0:0/0:0)","1-Acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside","Gibberellin A20","Ascorbyl stearate","1-Stearoyl-2-arachidonoyl-sn-glycerol","9'-Carboxy-alpha-chromanol","Fauronyl acetate","L-Valine, N-(2-hydroxy-3-butenyl)-","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid","N-Acetyl-L-glutamic acid","3beta,7alpha-Dihydroxy-5-cholestenoate","Brevifolincarboxylic acid","7-Aminomethyl-7-carbaguanine","2-Hydroxycinnamic acid","5-Cholesten-3beta-25-diol-3-sulfate","5-Hydroxy-4',7,8-trimethoxyflavone","Cortisone","3alpha-(Sulfonatooxy)-5beta-cholan-24-oate","Surfactin","Homosalate","L-Tyrosine","3-Hydroxytetradecanedioic acid","15-keto-Prostaglandin E2","ENOXOLONE","Matairesinol","Aflatoxin B2","Ciclesonide","7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, N-oxide","L-Rhamnose","Histidylmethionine","Ginsenoside Rc","Val-Pro-Asp-Pro-Arg","Tetradecanedioic acid","D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate","Ganoderiol I","Dalfopristin","Etimicin","Kudzusaponin SA2","Acetyl-DL-Leucine","Sorbitan laurate","Gibberellin A9","L-Citrulline","Threonylisoleucine","9,12,13-TriHOME","Allocholic acid","Dirithromycin","2-(7'-Methylthio)heptylmalic acid","Cucurbitacin B","Leptomycin B","trans-Cinnamic acid","5-Dehydroavenasterol","Fagomine","Sphinganine 1-phosphate","p-Benzosemiquinone","delta9-Tetrahydrocannabinol hemisuccinate","Dihydrosterigmatocystin","Formononetin","Hesperidin","N-Lactoylleucine","LysoPE(0:0/16:0)","Cyclohexylsulfamate","Acrylamide-sodium acrylate resin","Suberic acid","3-(4-Hydroxyphenyl)-3,5,6,8-tetrahydro-2H-chromene-4,7-dione","5a-Cholestane-3a,7a,12a,25-tetrol","Dehydrocyanaropicrin","Ginsenoside Rg3","6-Hydroxymelatonin","Mannitol","2'-Fluorothymidine","Chenodeoxycholic acid sulfate","Luteolin","(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]","DG(15:0/18:3(9,11,15)-OH(13)/0:0)","Dexamethasone","Fludrocortisone acetate","Magnolol","N-Linoleoyl Histidine","PA(16:1(9Z)/PGF2alpha)","5-Hydroxyferulate","Pandamarilactam 3x","Physagulin A","Metabolite M6","Evobioside","Paromomycin","INDORAMIN","Pravastatin","Hippurate","Indirubin-3'-monoxime","Glycocholate","PG(16:1(9Z)/PGF1alpha)","Jasmonic acid","4-Hydroxyphthalide","SN-38","2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid","Angiotensin (1-7)","SN38 glucuronide","Cyclo(glycylleucylvalylleucylprolylseryl)","20-Hydroxyecdysone","beta-D-ribosylnicotinate","Undecanedioic acid","20-Hydroxyrutacridone epoxide","Tetracycline","3-O-trans-Feruloyleuscaphic acid","Irbesartan","Apramycin","Peimisine","N-Alpha-acetyllysine","Genistein","15-Dihydroxyeicosatrienoic acid","Taurochenodeoxycholate","Azelaic acid","L-Lysine monohydrochloride","3-Sulfodeoxycholic acid","N-Acetylglucosamine 6-sulfate","Saxagliptin","Meproscillarin","3'-Hydroxy-N-methyl-(S)-coclaurine","N-Acetyl-L-leucine","2-Methoxyestrone 3-glucuronide","Candicidin","7-Methyl-cholic acid","Velnacrine","Biocytin","7alpha-Hydroxytestosterone","Arbekacin","17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione","Codeine","(2s)-7-Amino-2-{[(R)-Hydroxy{(1r)-2-Methyl-1-[(3-Phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic Acid","Milbemycin A3","Manumycin A","Avermectin A1a","3-Oxohexadecanoic acid","(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid"],"additional_accession":[]},"is_claimable":false,"name":"Gut Microbiota Dysbiosis and Hypercholesterolemia Are Associated with Bone Metastasis in Non-Small Cell Lung Cancer","description":"We collected baseline fecal samples from 85 patients with newly diagnosed lung cancer, 51 patients with bone metastasis (M group), and 34 patients without bone metastasis (N group). We conducted metagenomic and metabolomic sequencing to compare the differences in gut microbiota and metabolites between the two groups. At the same time, we collected baseline serum samples from 101 NSCLC patients with bone metastasis and 111 NSCLC patients without bone metastasis. Serum cholesterol levels at baseline were quantified using ELISA.","dates":{"publication":"2026-07-10","submission":"2026-07-10"},"accession":"MTBLS15004","cross_references":{"HMDB":["HMDB0039839","HMDB0059696","HMDB0011127","HMDB0032090","HMDB0303092","HMDB0244762","HMDB0041371","HMDB0031532","HMDB0011564","HMDB0244984","HMDB0039884","HMDB0002285","HMDB0032395","HMDB0037294","HMDB0245992","HMDB0036453","HMDB0241350","HMDB0006893","HMDB0038949","HMDB0031867","HMDB0304196","HMDB0253125","HMDB0246592","HMDB0036683","HMDB0006046","HMDB0038582","HMDB0259438","HMDB0031041","HMDB0003243","HMDB0014652","HMDB0041206","HMDB0060661","HMDB0248927","HMDB0001870","HMDB0003409","HMDB0040136","HMDB0036565","HMDB0249163","HMDB0010332","HMDB0000468","HMDB0000067","HMDB0000097","HMDB0242383","HMDB0249361","HMDB0001016","HMDB0060814","HMDB0251330","HMDB0246162","HMDB0034671","HMDB0030179","HMDB0040373","HMDB0304951","HMDB0302990","HMDB0014900","HMDB0038873","HMDB0028920","HMDB0253757","HMDB0000665","HMDB0257407","HMDB0010386","HMDB0011502","HMDB0015096","HMDB0254499","HMDB0001932","HMDB0000230","HMDB0013645","HMDB0241955","HMDB0011503","HMDB0059834","HMDB0001565","HMDB0034301","HMDB0256578","HMDB0303161","HMDB0257094","HMDB0014445","HMDB0034168","HMDB0034731","HMDB0259193","HMDB0259307","HMDB0259752","HMDB0004029","HMDB0005079","HMDB0244665","HMDB0003175","HMDB0006758","HMDB0011103","HMDB0242297","HMDB0013620","HMDB0006769","HMDB0003959","HMDB0033729","HMDB0243971","HMDB0007170","HMDB0037942","HMDB0030180","HMDB0033521","HMDB0247862","HMDB0002904","HMDB0035386","HMDB0304054","HMDB0245532","HMDB0002641","HMDB0004482","HMDB0041255","HMDB0249940","HMDB0258528","HMDB0002441","HMDB0255407","HMDB0000359","HMDB0242165","HMDB0012454","HMDB0060382","HMDB0006921","HMDB0000394","HMDB0249870","HMDB0031837","HMDB0010733","HMDB0002504","HMDB0001217","HMDB0032598","HMDB0000520","HMDB0259391","HMDB0006852","HMDB0037458","HMDB0035484","HMDB0030993","HMDB0001979","HMDB0004081","HMDB0003956","HMDB0011690","HMDB0247816","HMDB0244296","HMDB0004708","HMDB0012866","HMDB0006940","HMDB0000207","HMDB0011756","HMDB0247936","HMDB0303186","HMDB0247977","HMDB0035208","HMDB0000505","HMDB0248423","HMDB0001036","HMDB0248495","HMDB0248529","HMDB0015642","HMDB0035849","HMDB0038242","HMDB0033100","HMDB0030155","HMDB0242563","HMDB0000784","HMDB0304540","HMDB0003134","HMDB0034081","HMDB0303676","HMDB0015283","HMDB0038223","HMDB0002522","HMDB0242374","HMDB0015480","HMDB0038281","HMDB0004995","HMDB0035397","HMDB0032064","HMDB0002802","HMDB0003180","HMDB0034927","HMDB0303709","HMDB0031342","HMDB0031340","HMDB0015566","HMDB0035029","HMDB0250983","HMDB0000071","HMDB0012208","HMDB0015364","HMDB0295371","HMDB0296084","HMDB0015468","HMDB0030590","HMDB0015089","HMDB0006050","HMDB0001000","HMDB0011628","HMDB0251874","HMDB0252101","HMDB0038020","HMDB0033453","HMDB0036422","HMDB0033463","HMDB0252329","HMDB0014322","HMDB0005808","HMDB0037778","HMDB0003217","HMDB0000152","HMDB0303453","HMDB0303457","HMDB0303451","HMDB0041094","HMDB0033897","HMDB0034995","HMDB0039546","HMDB0000661","HMDB0000138","HMDB0039514","HMDB0003265","HMDB0000714","HMDB0028891","HMDB0253209","HMDB0253233","HMDB0253250","HMDB0253461","HMDB0253479","HMDB0248466","HMDB0015163","HMDB0028919","HMDB0032705","HMDB0032797","HMDB0041241","HMDB0000904","HMDB0254018","HMDB0001085","HMDB0006465","HMDB0014426","HMDB0301757","HMDB0000849","HMDB0000929","HMDB0000158","HMDB0005800","HMDB0253927","HMDB0011473","HMDB0254305","HMDB0000765","HMDB0242678","HMDB0035698","HMDB0254457","HMDB0061034","HMDB0011563","HMDB0254720","HMDB0014440","HMDB0254911","HMDB0014554","HMDB0254791","HMDB0000814","HMDB0001138","HMDB0000446","HMDB0062176","HMDB0241977","HMDB0242055","HMDB0263400","HMDB0015360","HMDB0033610","HMDB0266723","HMDB0015490","HMDB0256135","HMDB0256033","HMDB0256207","HMDB0268755","HMDB0041047","HMDB0011116","HMDB0278511","HMDB0032477","HMDB0005022","HMDB0015191","HMDB0001220","HMDB0032799","HMDB0014324","HMDB0032662","HMDB0003546","HMDB0015634","HMDB0060511","HMDB0060510","HMDB0258368","HMDB0029885","HMDB0001383","HMDB0000893","HMDB0258632","HMDB0000949","HMDB0015101","HMDB0014897","HMDB0000872","HMDB0029064","HMDB0000930","HMDB0000888","HMDB0000296","HMDB0244421","HMDB0042058"]}}