Metabolites were identified in IDEOM with the aid of an in house library of approximately 350 standards.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - hilic"],"chromatography_protocol":["Using a Dionex RSLC3000 UHPLC. ZIC-p(HILIC) column (5 µm, 150 x 4.6 mm) with a ZIC-pHILIC guard column (20 x 2.1 mm) (both Merck Millipore, Australia). A gradient elution of 20 mM ammonium carbonate (A) and acetonitrile (B) (linear gradient time-%B: 0 min-80%, 15 min-50%, 18 min-5%, 21 min-5%, 24 min-80%, 32 min-80%) was utilized at 25 °C, with 300 μL/min flow rate.
"],"publication":["Acute response to a high-fat-high-refined carbohydrate meal in healthy young men shows novel perturbation of multiple metabolic and defense pathways. 10.1039/d5fo04456a."],"submitter_name":["Aimee Dordevic","Christopher K Barlow"],"submitter_affiliation":["Monash University"],"organism_part":["blood plasma","solvent"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Plasma was thawed on ice before adding 25 µL to 200 µL of ice-cold extraction solvent (1:1 acetonitrile:methanol v/v, internal standards: 2 µM CHAPS, CAPS, PIPES and TRIS), followed by vortex mixing for 30 min at 4 °C before centrifugation (20,000 x g, 4 °C, 15 min). The supernatant was then immediately analysed.
"],"organism":["blank","Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS10972"],"author":["Aimee Dordevic. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. aimee.dordevic@monash.edu.","Christopher Barlow. Monash Proteomics & Metabolomics FacilityPlatform, Monash Biomedicine Discovery Institute & Department of Biochemistry and Molecular Biology, Monash University, Clayton VIC 3800, Australia. chris.barlow@monash.edu.","Kaitlin Day. School of Health and Biomedical Sciences, RMIT University, Bundoora VIC 3083. kaitlin.day@rmit.edu.au.","Ralf Schittenhelm. Monash Proteomics & Metabolomics FacilityPlatform, Monash Biomedicine Discovery Institute & Department of Biochemistry and Molecular Biology, Monash University, Clayton VIC 3800, Australia. ralf.schittenhelm@monash.edu.","Margaret Murray. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. margaret.murray@monash.edu.","Louise Bennett. School of Chemistry, Monash University, Clayton, Victoria, 3800, Australia. louise.bennett1@monash.edu.","Nina Trinquet. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. nina.trinquet1@monash.edu.","Beau-Luke Colton. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. beau.colton@gmail.com.","Gary Williamson. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. gary.williamson1@monash.edu.","Michael Houghton. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. michael.houghton@monash.edu.","Nicole Kellow. Department of Nutrition, Dietetics & Food, Monash University, Notting Hill, Victoria, 3168, Australia. nicole.kellow@monash.edu."],"data_transformation_protocol":["The mzMatch data were filtered, identified, quantified and visualised in IDEOM using default values (http://mzmatch.sourceforge.net/ideom.php).
"],"study_factor":["Time"],"submitter_email":["aimee.dordevic@monash.edu","chris.barlow@monash.edu"],"sample_collection_protocol":["Venous blood samples for serum were collected into BD Vacutainer SSTTM II Advance tubes (North Ryde, New South Wales, Australia), allowed to clot for 30 min, centrifuged at 2.0 relative centrifugal force (RCF) for 5 min at 22-25 °C and stored at -80 °C until analysis. Venous blood samples for plasma were collected into BD Vacutainer K2EDTA Tubes (North Ryde, New South Wales, Australia) and immediately centrifuged at 1.5 RCF for 10 min at 4 °C and stored at -80 °C until analysis. Plasma aliquots had 20 µL of ethylenediamine tetraacetic acid (EDTA) (0.1% w/v) and ascorbic acid (20% w/v) added per 500 µL, and then were stored at -80 °C.
"],"omics_type":["Metabolomics"],"study_design":["blank","blood plasma","untargeted analysis","Thermo Scientific Dionex UltiMate 3000 RSLC System","digestion","Homo sapiens","solvent","Food & Nutrition","high fat","Termo Scientific Q Exactive Plus"],"curator_keywords":["blank","blood plasma","untargeted analysis","Thermo Scientific Dionex UltiMate 3000 RSLC System","digestion","Homo sapiens","solvent","Food & Nutrition","high fat","Termo Scientific Q Exactive Plus"],"mass_spectrometry_protocol":["Q-Exactive Plus Orbitrap MS (Thermo). MS was performed at 70,000 resolution operating in rapid switching positive (4 kV) and negative (-3.5 kV) mode electrospray ionization (capillary temperature 300 °C; sheath gas flow rate 50; auxiliary gas flow rate 20; sweep gas 2; probe temp 120 °C).
"],"metabolite_name":["alpha-Irone","Prostaglandin G2","L-Octanoylcarnitine","L-Pipecolate","Tributyl phosphate","N-Acetyl-L-histidine","Coniferyl alcohol","Ectoine","L-2,4-Diaminobutanoate","N5-Methyl-L-glutamine","L-Erythrulose","L-Histidine","L-2-Amino-6-oxoheptanedioate","N-(omega)-Hydroxyarginine","Tetracosanoic acid","D-Glycerate","Bile salt","L-Proline","[ST (4:0)] 5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol","Methylitaconate","[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid","Methylimidazole acetaldehyde","(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate","N2-(D-1-Carboxyethyl)-L-lysine","(S)-3-Methyl-2-oxopentanoic acid","Picolinamide","Quinalphos","N2-Succinyl-L-ornithine","3-beta-D-Galactosyl-sn-glycerol","L-3-Amino-isobutanoate","L-Asparagine","N6-Acetyl-L-lysine","N6-(L-1,3-Dicarboxypropyl)-L-lysine","Tetrapentylammonium","N(alpha)-gamma-L-Glutamylhistamine","4-Methylene-L-glutamine","3-Hydroxy-2-methylpyridine-4,5-dicarboxylate","N-Amidino-L-aspartate","[FA (4:0)] 3-butenoic acid","FA (8:0) octanoic acid","N-(3-acetamidopropyl)-4-aminobutanal","FA (12:1) dodecenoic acid","Orotate(Fragment)","5,6-Dihydrothymine","Vindoline","N-(6-Aminohexanoyl)-6-aminohexanoate","Sinapyl alcohol","Citrate","(S)-Malate","L-Ornithine","ADP","Glycerophosphoglycerol","Ribulose","Phenyllactate","N-[(E,E)-Piperoyl]piperidine","8-Amino-7-oxononanoate","Trimetaphosphate","(E)-3,7-Dimethylocta-1,6-diene-3,8-diol","(S)-1-Pyrroline-5-carboxylate","(R)-3-Hydroxybutanoate","3-methylthiopropanal","D-Galacturonate","L-Aspartate 4-semialdehyde","(+)-gamma-Hydroxy-L-homoarginine","Ursodiol","D-Methionine","cis-Aconitate","Anisole","N-Acetyl-D-quinovosamine","D-Gluconic acid","3-Hydroxy-2-methylpyridine-5-carboxylate","D-Glucose","Decanoic acid","4,5-Dioxopentanoate","Indole","gamma-L-Glutamyl-D-alanine","2(alpha-D-Mannosyl)-D-glycerate","(R)-2-Hydroxyglutarate","Tris(butoxyethyl)phosphate","L-Carnitine","(R)-3-Amino-2-methylpropanoate","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate","Diethanolamine","Cerulenin","4-Methyl-2-oxopentanoate","[ST (3:0)] (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","(S)-3-Hydroxyisobutyrate","2-C-Methyl-D-erythritol 4-phosphate","Adenosine","N(alpha)-Benzyloxycarbonyl-L-leucine","Indolepyruvate","N-Acetyl-D-phenylalanine","3-(Pyrazol-1-yl)-L-alanine","5-Dehydro-4-deoxy-D-glucarate","L-Tyrosine","N-Formimino-L-glutamate","N-Acetyl-D-glucosaminate","Aldicarb","(S)-2-Acetolactate","5-Oxo-D-proline","S-Carboxymethyl-L-cysteine","Hypotaurine","Phenylhydrazine","L-Rhamnose","N-Acetylneuraminate","(S)-Lactate","L-Phenylalanine","Sucrose","[FA hydroxy(12:0)] 3-hydroxy-dodecanoic acid","L-2-Hydroxyphytanate","N-Butyryl-L-homoserine lactone","beta-Cymaropyranose","Traumatic acid","Erythritol","FA (17:0)","(-)-Jasmonic acid","Triethylamine","1(2H)-Isoquinolinone","3-Dehydrocarnitine","2,5-Dioxopentanoate","4-Hydroxybutanoic acid","Thien-2-ylacetate","5-Aminolevulinate","Methylenediurea","N4-(Acetyl-beta-D-glucosaminyl)asparagine","Isonicotineamide","Diisononyl phthalate","Sulfoacetate","Acetone cyanohydrin","(24R,24'R)-Fucosterol epoxide","4-Nitroaniline","Suberic acid","2-Oxobutanoate","5-Methylcytidine","2-Quinolinecarboxylic acid","[ST (2:0)] 5beta-Cholestane-3alpha,7alpha-diol","O-Palmitoyl-R-carnitine","4-Hydroxyphenylacetate","3-Methoxyanthranilate","FA hydroxy(12:0) dodecanoic acid","L-Carnitinamide","gamma-Amino-gamma-cyanobutanoate","4-(Trimethylammonio)but-2-enoate","N-(11Z-eicosaenoyl)-ethanolamine","Palmitoylglycerone phosphate","D-Galactose","Creatinine","D-Threose","Guanidinoacetate","D-Xylonate","Hydroxypyruvate","trans-Cinnamoyl beta-D-glucoside","5-Methylthio-D-ribose","2-Phenylacetamide","O-Propanoylcarnitine","(3Z)-Phytochromobilin","2-Hydroxymalonate","[ST hydrox] 3beta-hydroxypregn-5-ene-20-one","6-endo-Hydroxycineole","2-Oxoglutarate","Phenylacetonitrile","4-Aminosalicylate","Isothebaine","N4-Acetylaminobutanal","Bilirubin","FA hydroxy(20:4) eicosatetraenoic acid","O-Acetylneuraminic acid","3-(2-Hydroxyphenyl)propanoate","Hippurate","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide","Octadecanoic acid","Glycocholate","Phenylpropanoate","Betaine","L-Alanine","methionol","Acetyl adenylate","Stachyose","N6-Acetyl-N6-hydroxy-L-lysine","2-Butenoate","[PR] (-)-Carvone","AMP","Monomethyl sulfate","3,5/4-Trihydroxycyclohexa-1,2-dione","L-Methionine S-oxide","Dehydrovomifoliol","LysoPC(18:1)","S-Methylthioglycolate","15,16-Dihydrobiliverdin","Isoquinoline","N-Acetylanthranilate","L-Lysine","L-Glutamate","1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one","[FA oxo(14:0)] 3-oxo-tetradecanoic acid","Ecgonine methyl ester","Itaconate","Cys-Gly","Nalpha-Methylhistidine","6-Amino-2-oxohexanoate","3-Methylbutanol","3-Methylbutanoic acid","Chrysene","sn-glycero-3-Phosphoethanolamine","Dodecanoic acid","Coformycin","Allysine","10-Hydroxydecanoic acid","N-(11Z,14Z-eicosadienoyl)-ethanolamine","2-Hydroxy-3-oxoadipate","Sphinganine","Glycodeoxycholate","2-Oxoadipate","Acetoacetate","Cadaverine","Indolelactate","Thymine","H2S2O3","Indoxyl","Retinyl ester","3-Cresol","Glycerone phosphate","Quinate","D-Ribose","FA(16:1)","4-Methylene-L-glutamate","Sulfate","L-2-Aminoadipate","N2-Acetyl-L-lysine","L-Aspartate","[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid","Taurine","D-Fructose","Phenol sulfate","2-Ethylhexyl phthalate","3-(4-Hydroxyphenyl)pyruvate","L-a-glutamyl-L-Lysine","N-Methyl-2-pyrrolidinone","D-Xylose","L-Threonine","N5-Ethyl-L-glutamine","D-Alanyl-D-alanine","Glycochenodeoxycholate 7-sulfate","[FA oxo(8:0)] 3-oxo-octanoic acid","[SP] Sphinganine-1-phosphate","4-Hydroxy-2-oxoglutarate","L-Leucine","D-Sorbitol","[SP] Sphing-4-enine-1-phosphate","Trigonelline","3-Ureidopropionate","4-Hydroxyaminoquinoline N-oxide","Succinate","L-Urobilin","Glycerol","Muramic acid","[FA (6:0)] hexanal","N-Acetyl-D-glucosamine","Biotin amide","4-Oxoproline","2-Dehydro-D-xylonate","Acetoacetamide","Indole-3-acetaldoxime","3-(4-Hydroxyphenyl)lactate","Cholate","Dopaquinone","4-Pyridoxate","(-)-erythro-(2R,3R)-dihydroxybutylamide","[ST (18:2)] cholest-5-en-3beta-yl (9Z,12Z-octadecadienoate)","S-Methyl-1-thio-D-glycerate","Hexadecanoic acid","FA (8:1) octenal","Orthophosphate","Indoxylsulfate","12-OPDA","Imidazole-4-acetate","4-Hydroxyhexan-3-one","[FA hydroxy(20:4)] 5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid","FA (20:0)","[FA trihydrox] 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]","Miserotoxin","3-Methyleneoxindole","Urate","L-Tryptophan","Docosahexaenoicacid","4-Trimethylammoniobutanoate","(R)-4'-Phosphopantothenoyl-L-cysteine","1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(β-hydroxyethyl)-2-methylpyridinium bromide","1,8-Diazacyclotetradecane-2,9-dione","[FA (11:0)] undecanoic acid","[FA (10:0/2:0)] Decanedioic acid","N-Acetyl-beta-alanine","1-Pyrroline-2-carboxylate","L-Arabinose","Pantothenate","FA (20:1)","delta1-Piperideine-2-carboxylate","5'-Oxoinosine","L-Homocitrulline","[ST (4:0)] 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol","alpha-N-Phenylacetyl-L-glutamine","L-Valine","[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate","Taurodeoxycholate","meso-2,6-Diaminoheptanedioate","4-Acetamidobutanoate","2-Isopropylmaleate","L-Kynurenine","Creatine","Stipitatonate","FA methyl(14:0)","(E)-Glutaconate","Methacholine","Abscisate","2-Hydroxy-2,4-pentadienoate","4-Hydroxymandelonitrile","alpha-Ionone","N-Hydroxy-2-acetamidofluorene","Imidazolone","(R)-2,3-Dihydroxy-3-methylpentanoate","Tetradecanoic acid","4-Pyridoxolactone","Hypoxanthine","Linamarin","L-Arginine","Geranyl formate","3',4',5,7-Tetrahydroxy-3-methoxyflavone","Ngamma-Monomethyl-L-arginine","6-O-Methylnorlaudanosoline","D-Glucuronate","2-Oxoglutaramate","2-Arachidonoylglycerol","2-Methylcholine","Indole-3-acetate","[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid","3-Hydroxy-palmitic acid methyl ester","3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate","N6,N6,N6-Trimethyl-L-lysine","sodium dodecyl sulfate","Vomifoliol","Nalpha,Nalpha-Dimethyl-L-histidine","sn-glycero-3-Phosphocholine","5-Hydroxypentanoate","N,N-Dimethylglycine","1-Pyrroline-4-hydroxy-2-carboxylate","Adenine","Pyruvate","Pinidine","S-Acetyldihydrolipoamide","2,7-Anhydro-alpha-N-acetylneuraminic acid","3-Cyano-L-alanine","Mesaconate","L-Serine","S-Methyl-L-methionine","[FA (26:0)] hexacosanoic acid","(Z)-4-Hydroxyphenylacetaldehyde-oxime","3-Methylguanine","[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]","FA oxo(12:1)","Imidazol-5-yl-pyruvate","N-gamma-Acetyldiaminobutyrate","3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate","trihomomethionine","sn-Glycerol 3-phosphate","[PR] (+)-Bornane-2,5-dione","2,3,4,5-Tetrahydropyridine-2-carboxylate","1-(3,4-dimethoxylphenyl)ethane-1,2-diol","5-Guanidino-2-oxopentanoate","3-Amino-3-(4-hydroxyphenyl)propanoate","FA (14:1) tetradecenoic acid","Caffeine","2,6-Dioxo-6-phenylhexanoate","Cholesterolsulfate","L-Citrulline","8-Oxocoformycin","N-Formyl-L-methionine","(-)-Camphor","Maltotriose","3-Oxopropanoate","L-Methionine","Maleamate","(25S)-11alpha,20,26-trihydroxyecdysone","3-Dehydroquinate","Proclavaminic acid","3-Methyl-2-oxobutanoic acid","Theophylline","S-Adenosyl-L-methionine","Ergothioneine","Oxalate","N-Acetylisatin","2-Aminobutan-4-olide","I-Urobilinogen","Urea-1-carboxylate","N-Acetylornithine","D-Nopaline","2-Aminoacrylate","[ST trihydroxy(2:0)] 11beta,17,21-trihydroxypregn-4-ene-3,20-dione","Mannitol","Ecdysone","3-Oxohexobarbital","[FA (24:0)] 15Z-tetracosenoic acid","[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid","4-Imidazolone-5-propanoate","Botrydial","Dodecanedioic acid","N-Acetylputrescine","O-Acetylcarnitine","trans-Aconitate","2-Hydroxybutanoic acid","D-Mycinose","[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate","L-Glutamine","D-Glucosamine","3,4-Dehydrothiomorpholine-3-carboxylate","Choline","N-Propanoylimidazole","9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid","Ethyl (R)-3-hydroxyhexanoate","2-Dehydro-3-deoxy-D-glucarate","N-Acetylmuramate","Ethyl (R)-3-hydroxybutanoate","N6-Hydroxy-L-lysine","N2-Acetyl-L-aminoadipate","L-Isoleucine","N-Acetyl-L-citrulline","[FA (25:0)] pentacosanoic acid","3-Oxododecanoic acid","6-Acetamido-3-aminohexanoate","6-Oxocineole","D-Ribulose","I-Urobilin","Choline phosphate","7-Methylxanthine","p-Benzenediol","Indoleacrylicacid","N6-(1,2-Dicarboxyethyl)-AMP","D-Arabinonate","D-Arabitol","Sedoheptulose","beta-D-Fructose","[FA hydroxy(14:0)] 3S-hydroxy-tetradecanoic acid","CDP-choline","L-Dehydroascorbate","2-Methylcitrate","Butanoic acid","FA (20:4)","Raffinose","O-Acetyl-L-homoserine","[FA (23:0)] tricosanoic acid","[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid","Succinate semialdehyde","Urocanate","3beta-Hydroxyandrost-5-en-17-one 3-sulfate","Bendiocarb","Piperidine","alpha-D-Glucose","2-Acetolactate","N-Acetyl-L-glutamate","N-Acetyl-L-leucine","L-Azetidine 2-carboxylic acid","FA oxo(10:0)","Dethiobiotin","3-oxohexacosanoic acid","Ethyl 3-oxohexanoate","Phosphocreatine","Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate","N2-(D-1-Carboxyethyl)-L-arginine","3-Hydroxy-N6,N6,N6-trimethyl-L-lysine","Lactose","N(pi)-Methyl-L-histidine","Carbamoyl phosphate","Bethanechol"],"additional_accession":[]},"is_claimable":false,"name":"Acute response to a high-saturated, high-refined carbohydrate meal in healthy young men shows novel perturbation of multiple metabolic and defense pathways","description":"Regular consumption of fat and refined carbohydrates induces metabolic stress, increasing chronic metabolic disease risk. In healthy volunteers, we characterised the response to a high-fat/high-carbohydrate meal (HFHCM), typical of an ultra-processed food, by proteomic and metabolomics analyses, to define the postcibalome. Glucose, fructose, galactose, insulin and myeloperoxidase transiently increased; 220 plasma proteins (~17% “cellular oxidant detoxification”) were transiently decreased at 240 and 300 min coinciding with undigested HFHCM components reaching the gut microbiota. Superoxide dismutase-1, a key antioxidant enzyme, was confirmed measured using ELISA, and maximal decreases were predicted by individual plasma glucose AUC. Elevated amino acids at 6 h matched those proposed to be fasting indicators of diabetes-risk; unsaturated free fatty acids decreased, whereas saturated forms increased as exemplified by octanoic acid, a modifier of ghrelin function. We propose that the magnitude of the postprandial increase in oxidative stress parameters could reflect a molecular diagnosis of metabolic health.
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