<HashMap><database>MetaboLights</database><file_versions><headers><Content-Type>application/xml</Content-Type></headers><body><files><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/m_MTBLS15552_LC-MS_positive_hilic_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/m_MTBLS15552_LC-MS_negative_hilic_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/i_Investigation.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/s_MTBLS15552.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/a_MTBLS15552_LC-MS_negative_hilic.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/a_MTBLS15552_LC-MS_positive_hilic.txt</Txt><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/A3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/B2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/B3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/A1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/QC01.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/QC03.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/A2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/A2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/QC02.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/QC03.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/QC02.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/B3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/B1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/QC01.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/B1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/A3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/A1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/B2.mzML</Mzml><Mgf>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/mgf/TSTQK25635a_mix02_P.mgf</Mgf><Mgf>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/mgf/TSTQK25635a_mix02_N.mgf</Mgf><Mgf>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/NEG/mgf/TSTQK25635a_mix01_N.mgf</Mgf><Mgf>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552/FILES/DERIVED_FILES/POS/mgf/TSTQK25635a_mix01_P.mgf</Mgf></files><type>primary</type></body><statusCode>OK</statusCode><statusCodeValue>200</statusCodeValue></file_versions><scores/><additional><ftp_download_link>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15552</ftp_download_link><metabolite_identification_protocol>&lt;p>After correction and filtering, metabolite identification was performed by searching the peaks against the laboratory's in-house database, integrated public databases, and a prediction library. Ultimately, features with a comprehensive identification score&amp;nbsp;0.5 and a QC sample CV &amp;lt; 0.3 were retained. Data from positive and negative ion modes were then merged, retaining the feature with the highest identification confidence level and the smallest CV value, to generate the file 'all_sample_data.xlsx'.&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Liquid Chromatography MS - positive - hilic</instrument_platform><instrument_platform>Liquid Chromatography MS - negative - hilic</instrument_platform><chromatography_protocol>&lt;p>All samples were for two LC/MS methods. One aliquot was analyzed using positive ion conditions and was eluted from T3 column (Waters ACQUITY Premier HSS T3 Column 1.8 µm, 2.1 mm all_fetch_status all_status eb_eye_copy_status eb_eye_entry_counts eb_eye_fetch_status eb_eye_metabolights_complete.xml eb_eye_metabolights_compounds.copy eb_eye_metabolights_compounds.xml eb_eye_metabolights_studies.copy e_fetch_status europe_PMC_metabolights_studies.copy europe_PMC_metabolights_studies.xml head.xml studies.copy study.xml tail.xml thomsonreuters_metabolights_studies.copy thomsonreuters_metabolights_studies.xml 100 mm) using 0.1 % formic acid in water as solvent A and 0.1 % formic acid in acetonitrile as solvent B in the following gradient: 5 to 20 % in 1 min, increased to 99 % in the following 2 mins and held for 1.5 min,then come back to 5 % mobile phase B witnin 0.1 min, held for 1.4 min. The analytical conditions were as follows, column temperature, 40 °C; flow rate, 0.4 mL/min; injection volume, 3 μL; Another aliquot was using negative ion conditions and was the same as the elution gradient of positive mode.&lt;/p></chromatography_protocol><publication>M3-Driven Hexosamine Biosynthesis Facilitates Hepatocellular Carcinoma Progression through YBX1 O-GlcNAcylation.</publication><submitter_affiliation>The First Affiliated Hospital of Anhui Medical University</submitter_affiliation><submitter_name>Jiaqing Chen</submitter_name><organism_part>cell</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>The sample stored at -80 °C refrigerator was thawed on ice. A 500 μL solution (Methanol : Water=4:1, V/V) containing internal standard was added into the cell sample and vortexed for 3 min. The sample was placed in liquid nitrogen for 5 min and on the dry ice for 5 min, and then thawed on ice and vortexed for 2 min. This freeze-thaw circle was repeated three times in total. The sample was centrifuged at 12000 rpm for 10 min (4 °C). A 300 μL of supernatant was collected and placed in -20 °C for 30 min.The sample was then centrifuged at 12000 rpm for 3 min (4 °C). A 200 μL aliquots of supernatant were transferred for LC-MS analysis.&lt;/p></extraction_protocol><organism>Homo sapiens</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS15552</full_dataset_link><author>Jiaqing Chen. The First Affiliated Hospital of Anhui Medical University. 2345011394@stu.ahmu.edu.cn.</author><author>Beicheng Sun. The First Affiliated Hospital of Anhui Medical University. 2345011394@stu.ahmu.edu.cn.</author><data_transformation_protocol>&lt;p>Raw mass spectrometry data were converted to the **mzML** format using ProteoWizard. Peak detection, alignment, and retention time correction were then performed using 'XCMS'.&lt;/p></data_transformation_protocol><study_factor>Group</study_factor><submitter_email>2345011394@stu.ahmu.edu.cn</submitter_email><sample_collection_protocol>&lt;p>PGM3-overexpressing and control cell samples (3 biological replicates per group, 1 × 1000000 cells per sample), then samples were flash-frozen in liquid nitrogen and stored at 80 °C prior to metabolomic analysis.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Metabolomics</study_design><study_design>FR054</study_design><study_design>untargeted analysis</study_design><study_design>Thermo Scientific Orbitrap Exploris 120</study_design><study_design>Homo sapiens</study_design><study_design>Hepatocellular carcinoma</study_design><study_design>YBX1</study_design><study_design>cell</study_design><study_design>Thermo Scientific Vanquish UHPLC System</study_design><study_design>HCC-Hep3B cell</study_design><study_design>PGM3</study_design><study_design>Hexosamine biosynthesis pathway</study_design><study_design>O-GlcNAcylation</study_design><curator_keywords>Metabolomics</curator_keywords><curator_keywords>FR054</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Thermo Scientific Orbitrap Exploris 120</curator_keywords><curator_keywords>Homo sapiens</curator_keywords><curator_keywords>Hepatocellular carcinoma</curator_keywords><curator_keywords>YBX1</curator_keywords><curator_keywords>cell</curator_keywords><curator_keywords>Thermo Scientific Vanquish UHPLC System</curator_keywords><curator_keywords>HCC-Hep3B cell</curator_keywords><curator_keywords>PGM3</curator_keywords><curator_keywords>Hexosamine biosynthesis pathway</curator_keywords><curator_keywords>O-GlcNAcylation</curator_keywords><mass_spectrometry_protocol>&lt;p>All the methods alternated between full scan MS and data dependent MSn scans using dynamic ex-clusion. MS analyses were carried out using electrospray ionization in the positive ion mode and negativeion mode using full scan analysis over m/z 70-1000 at 60000 resolution. Additional MS settings are: ionspray voltage, 3.8 KV or 3.4 KV in positive or negative modes, respevtively; Sheath gas (Arb), 60; Aux gas, 20; Ion transfer tube temperature, 320 °C; Vaporizer temperature, 350 °C; Collision energy, 30,40,50V; Top N vs Top speed, 10.&lt;/p></mass_spectrometry_protocol><metabolite_name>4,6-Dinitro-O-cresol</metabolite_name><metabolite_name>9,10-DHOME</metabolite_name><metabolite_name>Diethyl hydrogen phosphate</metabolite_name><metabolite_name>L-thyronine</metabolite_name><metabolite_name>Uridine-5'-diphosphate</metabolite_name><metabolite_name>cis-3-Hexenyl pyruvate</metabolite_name><metabolite_name>Pyrocatechol</metabolite_name><metabolite_name>3,3-Dimethylglutaric acid</metabolite_name><metabolite_name>Isothiocyanatocyclohexane</metabolite_name><metabolite_name>alphLinolenic acid</metabolite_name><metabolite_name>Folic acid</metabolite_name><metabolite_name>2-Acetamido-3-methylbutanoic acid</metabolite_name><metabolite_name>Lenthionine</metabolite_name><metabolite_name>(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate</metabolite_name><metabolite_name>Heptanoic acid</metabolite_name><metabolite_name>PI(18:0_20:4)</metabolite_name><metabolite_name>2-Methylbenzoic acid</metabolite_name><metabolite_name>Dimethyl hydrogen phosphate</metabolite_name><metabolite_name>PE-NMe2(20:3_16:0)</metabolite_name><metabolite_name>gammLinolenic Acid</metabolite_name><metabolite_name>Tetracosanoic acid</metabolite_name><metabolite_name>Dehydroabietic acid</metabolite_name><metabolite_name>Gabazine</metabolite_name><metabolite_name>8,11-Eicosadienoic acid</metabolite_name><metabolite_name>PG(20:4_18:0)</metabolite_name><metabolite_name>Citrulline</metabolite_name><metabolite_name>3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide</metabolite_name><metabolite_name>Alloxan</metabolite_name><metabolite_name>Tropolone</metabolite_name><metabolite_name>Flavin mononucleotide</metabolite_name><metabolite_name>Phenol</metabolite_name><metabolite_name>2-Ep5-epvaliolone 7-phosphate</metabolite_name><metabolite_name>Uridine-5'-monophosphate</metabolite_name><metabolite_name>PS(22:6_22:4)</metabolite_name><metabolite_name>1-Methyl-4-nitroimidazole</metabolite_name><metabolite_name>2-Iminiopropanoate</metabolite_name><metabolite_name>4-(Phosphooxymethyl)-2-furancarboxaldehyde</metabolite_name><metabolite_name>3-Hydroxyanthranilic acid</metabolite_name><metabolite_name>Methyl dihydrogen phosphate</metabolite_name><metabolite_name>4-Hydroxybenzaldehyde</metabolite_name><metabolite_name>2'-Phospho-5'-adenylyl sulfate</metabolite_name><metabolite_name>5-Hydroxyindoleacetic acid</metabolite_name><metabolite_name>PS(20:3_22:5)</metabolite_name><metabolite_name>PE-NMe(18:0_15:0)</metabolite_name><metabolite_name>LPC(15:0_0:0)</metabolite_name><metabolite_name>Prostaglandin E2</metabolite_name><metabolite_name>trans-10-Octadecenoic acid</metabolite_name><metabolite_name>1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>PE-NMe2(18:1_16:0)</metabolite_name><metabolite_name>Glycine</metabolite_name><metabolite_name>Methanesulfonic Acid</metabolite_name><metabolite_name>LPA(20:2_0:0)</metabolite_name><metabolite_name>Glutaric acid</metabolite_name><metabolite_name>2-Hydroxyquinoline</metabolite_name><metabolite_name>9E-heptadecenoic acid</metabolite_name><metabolite_name>1-Methyl-3-(2-methyl-1-propenyl)cyclopentane</metabolite_name><metabolite_name>2-Amino-4,6-dichloropyrimidine-5-carbaldehyde</metabolite_name><metabolite_name>LPE(0:0_18:2)</metabolite_name><metabolite_name>5,6-Indolequinone-2-carboxylic acid</metabolite_name><metabolite_name>4-Methylcatechol</metabolite_name><metabolite_name>Glutathione</metabolite_name><metabolite_name>thromboxane B2</metabolite_name><metabolite_name>Panaxytriol</metabolite_name><metabolite_name>[(2R)-2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphonic acid</metabolite_name><metabolite_name>N-Phenylacetylglycine</metabolite_name><metabolite_name>Miglitol</metabolite_name><metabolite_name>Dimethyl tetrasulfide</metabolite_name><metabolite_name>1-16:0-2-18:2-Phosphatidylinositol</metabolite_name><metabolite_name>12alphHydroxy-3-oxochol4,6-dien-24-oic Acid</metabolite_name><metabolite_name>N-Acetylvanilalanine</metabolite_name><metabolite_name>Pseudouridine</metabolite_name><metabolite_name>Monoethyl carbonate</metabolite_name><metabolite_name>PA(18:0_22:5)</metabolite_name><metabolite_name>4-(1,1,3,3-Tetramethylbutyl)-phenol</metabolite_name><metabolite_name>3-Oxoadipic acid</metabolite_name><metabolite_name>Oleamide</metabolite_name><metabolite_name>2-Ethyl-2-Hydroxybutyric acid</metabolite_name><metabolite_name>PS(16:0_22:0)</metabolite_name><metabolite_name>5,15-DiHETE</metabolite_name><metabolite_name>Pantothenic acid</metabolite_name><metabolite_name>N-Nitrosoguvacoline</metabolite_name><metabolite_name>Citral propylene glycol acetal</metabolite_name><metabolite_name>Amyl Nitrite</metabolite_name><metabolite_name>3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid</metabolite_name><metabolite_name>PE-NMe2(18:1_14:0)</metabolite_name><metabolite_name>Isovaleric acid</metabolite_name><metabolite_name>Guanosine</metabolite_name><metabolite_name>Glyceraldehyde</metabolite_name><metabolite_name>2'-Deoxyguanosine-5'-diphosphate</metabolite_name><metabolite_name>PE-NMe2(16:1_20:4)</metabolite_name><metabolite_name>3-Hydroxydecanoic acid</metabolite_name><metabolite_name>1,2,3,4-Tetrahydronaphthalene</metabolite_name><metabolite_name>7-Ketocholesterol</metabolite_name><metabolite_name>1,3-Cyclohexanedione</metabolite_name><metabolite_name>5-Hydroxyferulic acid</metabolite_name><metabolite_name>PE-NMe2(18:2_18:1)</metabolite_name><metabolite_name>5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine</metabolite_name><metabolite_name>Indoleacetaldehyde</metabolite_name><metabolite_name>Phoxim</metabolite_name><metabolite_name>Oleoyltaurine</metabolite_name><metabolite_name>Succinyladenosine</metabolite_name><metabolite_name>dTDP-4-keto-5-methyl-betL-rhamnose</metabolite_name><metabolite_name>3-Methylxanthine</metabolite_name><metabolite_name>Acetylglycine</metabolite_name><metabolite_name>Acetoacetic acid</metabolite_name><metabolite_name>Glyceric acid</metabolite_name><metabolite_name>1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>PA(18:4_18:4)</metabolite_name><metabolite_name>(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid</metabolite_name><metabolite_name>Phthalic acid</metabolite_name><metabolite_name>1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Valeraldehyde dibutyl acetal</metabolite_name><metabolite_name>Maleimide</metabolite_name><metabolite_name>PE-NMe(16:1_15:0)</metabolite_name><metabolite_name>2-Aminoisobutyric acid</metabolite_name><metabolite_name>PE-NMe2(16:1_20:3)</metabolite_name><metabolite_name>L-3-Cyanoalanine</metabolite_name><metabolite_name>3-tert-Butyl-4-hydroxyanisole</metabolite_name><metabolite_name>Prostaglandin D3</metabolite_name><metabolite_name>2-Phosphoglyceric acid</metabolite_name><metabolite_name>Daidzein 4'-O-glucuronide</metabolite_name><metabolite_name>N-Nitrosoguvacine</metabolite_name><metabolite_name>trans-trans-Muconic acid</metabolite_name><metabolite_name>1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)</metabolite_name><metabolite_name>Pyrophosphate</metabolite_name><metabolite_name>Rhamnose</metabolite_name><metabolite_name>Uridine</metabolite_name><metabolite_name>3-Ethylphenyl sulfate</metabolite_name><metabolite_name>4-Amino-2-methylenebutanoic acid</metabolite_name><metabolite_name>3'-Adenylic acid</metabolite_name><metabolite_name>1,3-Benzenediol</metabolite_name><metabolite_name>Lyxo-2-Hexulose</metabolite_name><metabolite_name>Tulipalin B</metabolite_name><metabolite_name>Glu-Phe</metabolite_name><metabolite_name>Ornithine</metabolite_name><metabolite_name>2-Pentadecanone</metabolite_name><metabolite_name>N-Palmitoyl Taurine</metabolite_name><metabolite_name>N-Acetylaspartylglutamic acid</metabolite_name><metabolite_name>10-Undecenal</metabolite_name><metabolite_name>3-Hydroxybenzoic acid</metabolite_name><metabolite_name>4-Hydroxyphenylacetaldehyde</metabolite_name><metabolite_name>Cysteine</metabolite_name><metabolite_name>Nitroethane</metabolite_name><metabolite_name>Serine</metabolite_name><metabolite_name>Sterculic acid</metabolite_name><metabolite_name>2,4-Diamino-6-nitrotoluene</metabolite_name><metabolite_name>Proline</metabolite_name><metabolite_name>Benzoyl phosphate</metabolite_name><metabolite_name>12-Methyltetradecanoic acid</metabolite_name><metabolite_name>Isopentenyladenine</metabolite_name><metabolite_name>5'-Deoxy-5'-methylthioadenosine</metabolite_name><metabolite_name>Monomethyl fumarate</metabolite_name><metabolite_name>2,5-Dichloro-1,4-benzoquinone</metabolite_name><metabolite_name>1-Naphthoic acid</metabolite_name><metabolite_name>Glu-Met</metabolite_name><metabolite_name>3-Hydroxymethylglutaric acid</metabolite_name><metabolite_name>PE-NMe(15:0_18:0)</metabolite_name><metabolite_name>Aspartic acid</metabolite_name><metabolite_name>Tagatose</metabolite_name><metabolite_name>N,N'-Diacetylhydrazine</metabolite_name><metabolite_name>Hydroxyisoleucine</metabolite_name><metabolite_name>2,4,6-Triethyl-1,3,5-trioxane</metabolite_name><metabolite_name>Isoniazid</metabolite_name><metabolite_name>1,2-Dichloroethane</metabolite_name><metabolite_name>Acetimidoquinone</metabolite_name><metabolite_name>Piperonal</metabolite_name><metabolite_name>Adenosine</metabolite_name><metabolite_name>Adenosine monophosphate</metabolite_name><metabolite_name>2-Hydroxy-3-(sulfooxy)benzoic acid</metabolite_name><metabolite_name>Monoethyl phthalate</metabolite_name><metabolite_name>PE-NMe2(18:1_14:1)</metabolite_name><metabolite_name>Allopurinol</metabolite_name><metabolite_name>PE-NMe(18:1_18:1)</metabolite_name><metabolite_name>Ethylene carbonate</metabolite_name><metabolite_name>HMG-CoA</metabolite_name><metabolite_name>3-Methylpyrrolo[1,2-a]pyrazine</metabolite_name><metabolite_name>Heptadecanal</metabolite_name><metabolite_name>PS(18:1_24:1)</metabolite_name><metabolite_name>1-Palmitoylglycerol 3-phosphate</metabolite_name><metabolite_name>FFA(16:1)</metabolite_name><metabolite_name>2-Hydroxycinnamic acid</metabolite_name><metabolite_name>12,13-DiHOME</metabolite_name><metabolite_name>(Z)-2-hydroxy-3-aminoperacrylic acid</metabolite_name><metabolite_name>2,3-Dihydroxy-2'-carboxybiphenyl</metabolite_name><metabolite_name>3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid</metabolite_name><metabolite_name>PS(22:4_22:5)</metabolite_name><metabolite_name>1,2-Epoxyhexadecane</metabolite_name><metabolite_name>5-Phenylvaleric acid</metabolite_name><metabolite_name>10-hydroxystearic acid</metabolite_name><metabolite_name>Neoabietic acid</metabolite_name><metabolite_name>Berteroin</metabolite_name><metabolite_name>Ethylnitronate</metabolite_name><metabolite_name>1,6-Hexanedithiol</metabolite_name><metabolite_name>Aspartate semialdehyde</metabolite_name><metabolite_name>Benzoic acid</metabolite_name><metabolite_name>2-amino-3-(1H-pyrazol-1-yl)propanoic acid</metabolite_name><metabolite_name>Ascorbic acid</metabolite_name><metabolite_name>5-Methylcytosine</metabolite_name><metabolite_name>(R)-Dihydromaleimide</metabolite_name><metabolite_name>D-Quinovose</metabolite_name><metabolite_name>Chinomethionat</metabolite_name><metabolite_name>2-Azaniumyl-5-(carbamoylamino)pentanoate</metabolite_name><metabolite_name>Traumatic acid</metabolite_name><metabolite_name>Isoproterenol</metabolite_name><metabolite_name>Docosahexaenoic acid</metabolite_name><metabolite_name>D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate</metabolite_name><metabolite_name>1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Thymidine-5'-phosphate</metabolite_name><metabolite_name>1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl</metabolite_name><metabolite_name>Uridine diphosphate glucose</metabolite_name><metabolite_name>15-methyl palmitic acid</metabolite_name><metabolite_name>2,5-Dihydroxybenzaldehyde</metabolite_name><metabolite_name>Pyrazin-2-carboxylic acid</metabolite_name><metabolite_name>Propylene glycol diacetate</metabolite_name><metabolite_name>(S)-10,16-Dihydroxyhexadecanoic acid</metabolite_name><metabolite_name>PE-NMe2(16:1_16:1)</metabolite_name><metabolite_name>PE-NMe2(18:0_14:0)</metabolite_name><metabolite_name>Folinic acid</metabolite_name><metabolite_name>2-Dodecylbenzenesulfonic acid</metabolite_name><metabolite_name>Threonine</metabolite_name><metabolite_name>Methyl ( )-2-methylpentanoate</metabolite_name><metabolite_name>(3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8hexahydro-1H-3a,6-epoxyazulen-6-ol</metabolite_name><metabolite_name>Acetylsalvipisone</metabolite_name><metabolite_name>2-Ketobutyric acid</metabolite_name><metabolite_name>(3beta)-Stigmast-5-en-3-yl 6-O-palmitoyl-betD-glucopyranoside</metabolite_name><metabolite_name>Urocanic acid</metabolite_name><metabolite_name>Valeric acid</metabolite_name><metabolite_name>Oleic estolide</metabolite_name><metabolite_name>Dinex</metabolite_name><metabolite_name>Acetaminophen</metabolite_name><metabolite_name>Lysine</metabolite_name><metabolite_name>Lombricine</metabolite_name><metabolite_name>LPC(14:0_0:0)</metabolite_name><metabolite_name>4,4'-Dihydroxybenzophenone</metabolite_name><metabolite_name>Sclareolide</metabolite_name><metabolite_name>Hydroxyoctanoic acid</metabolite_name><metabolite_name>LPE(0:0_16:1)</metabolite_name><metabolite_name>Pyruvatoxime</metabolite_name><metabolite_name>1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>LPC(18:0_0:0)</metabolite_name><metabolite_name>Glutamic acid</metabolite_name><metabolite_name>1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>4-Nitroaniline</metabolite_name><metabolite_name>Methoxypyrazine</metabolite_name><metabolite_name>2,4-Dichlorobenzoic acid</metabolite_name><metabolite_name>Suberic acid</metabolite_name><metabolite_name>PE-NMe2(15:0_15:0)</metabolite_name><metabolite_name>Acetylsalicylic acid</metabolite_name><metabolite_name>2-O-Methylcytosine</metabolite_name><metabolite_name>3-(Hydroxymethyl)-2-octanone</metabolite_name><metabolite_name>Guanine</metabolite_name><metabolite_name>Piribedil</metabolite_name><metabolite_name>2-Naphthol</metabolite_name><metabolite_name>4-Nitrophenol</metabolite_name><metabolite_name>Butylparaben</metabolite_name><metabolite_name>1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Adenosine 5'-Diphosphate</metabolite_name><metabolite_name>Dimethyl sulfone</metabolite_name><metabolite_name>LPE(0:0_16:0)</metabolite_name><metabolite_name>2-(1-methyl-1H-imidazol-5-yl)acetic acid</metabolite_name><metabolite_name>PE-NMe2(18:2_24:0)</metabolite_name><metabolite_name>Creatinine</metabolite_name><metabolite_name>Nitrobenzene</metabolite_name><metabolite_name>Spinoside A</metabolite_name><metabolite_name>Petroselinic acid</metabolite_name><metabolite_name>Didox</metabolite_name><metabolite_name>3-methoxybenzene-1,2-diol</metabolite_name><metabolite_name>Glu-Val</metabolite_name><metabolite_name>Xanthosine</metabolite_name><metabolite_name>(S)-3,7-Dimethyl-1,6-octadiene</metabolite_name><metabolite_name>Pyridoxine</metabolite_name><metabolite_name>Pimelic acid</metabolite_name><metabolite_name>cis-7-Hexadecenoic acid</metabolite_name><metabolite_name>1-Tetradecanoyl-2-eicosanoyl-glycero-3-phosphoserine</metabolite_name><metabolite_name>Citric acid</metabolite_name><metabolite_name>3-Aminopentanedioic acid</metabolite_name><metabolite_name>Oxamic acid</metabolite_name><metabolite_name>3-Hydroxy-3-methyloxindole</metabolite_name><metabolite_name>Valine</metabolite_name><metabolite_name>Glycolithocholic acid</metabolite_name><metabolite_name>Hydroxymethylphosphonate</metabolite_name><metabolite_name>N-Acetylleucine</metabolite_name><metabolite_name>(S)-2-amino-6-oxopimelic acid</metabolite_name><metabolite_name>Maleamic acid</metabolite_name><metabolite_name>Procarbazine</metabolite_name><metabolite_name>Oleic Acid</metabolite_name><metabolite_name>PE-NMe(15:0_20:3)</metabolite_name><metabolite_name>PC(16:0_P-18:0)</metabolite_name><metabolite_name>Ethyl nitrite</metabolite_name><metabolite_name>5,8,11-Eicosatrienoic acid</metabolite_name><metabolite_name>Methylparaben</metabolite_name><metabolite_name>Pipecolic acid</metabolite_name><metabolite_name>Multifidol</metabolite_name><metabolite_name>Fenoldopam</metabolite_name><metabolite_name>Sodium malate</metabolite_name><metabolite_name>Methyl 4-chloro-1H-indole-3-acetate</metabolite_name><metabolite_name>5-Fluorouridine</metabolite_name><metabolite_name>4-Hydroxyphenyl thiocyanate</metabolite_name><metabolite_name>2-Methyl-3-heptanone</metabolite_name><metabolite_name>N-Acetylimidazole</metabolite_name><metabolite_name>(5R)-5-methoxypyrrolidin-2-one</metabolite_name><metabolite_name>Betaine</metabolite_name><metabolite_name>LPE(0:0_18:0)</metabolite_name><metabolite_name>N-Methylhydantoin</metabolite_name><metabolite_name>10-formyldihydrofolic acid</metabolite_name><metabolite_name>Indole-3-carboxaldehyde</metabolite_name><metabolite_name>Glu-Tyr</metabolite_name><metabolite_name>Flavin adenine dinucleotide</metabolite_name><metabolite_name>Orotidine</metabolite_name><metabolite_name>Jasmonic acid</metabolite_name><metabolite_name>2-(1H-Imidazol-1-Yl)Acetic Acid</metabolite_name><metabolite_name>3-Phenyllactic acid</metabolite_name><metabolite_name>24,25-Diacetylvulgaroside</metabolite_name><metabolite_name>5,6-dihydrothymine</metabolite_name><metabolite_name>gammGlutamylglutamate</metabolite_name><metabolite_name>1,1-Dichloroethane</metabolite_name><metabolite_name>4-Hydroxyphenylglycine</metabolite_name><metabolite_name>Salicylhydroxamic acid</metabolite_name><metabolite_name>Hydroquinone</metabolite_name><metabolite_name>Sodium cyclamate</metabolite_name><metabolite_name>N-Acetyl-L-aspartic acid</metabolite_name><metabolite_name>Lobeline</metabolite_name><metabolite_name>Benzofuran</metabolite_name><metabolite_name>1-(4-Hydroxy-3-methoxyphenyl)-3-decanone</metabolite_name><metabolite_name>2-Amino-4-nitrophenol</metabolite_name><metabolite_name>2-Methylbutyronitrile</metabolite_name><metabolite_name>O-acetyl-L-serine</metabolite_name><metabolite_name>Monobutyl phthalate</metabolite_name><metabolite_name>(S)-2-Hydroxy-2-phenylacetonitrile O-[b-D-apiosyl-(1->2)-b-D-glucoside]</metabolite_name><metabolite_name>Chloroxylenol</metabolite_name><metabolite_name>Dimorphecolic acid</metabolite_name><metabolite_name>1,1-Dimethoxyheptane</metabolite_name><metabolite_name>2-Methylheptanoic acid</metabolite_name><metabolite_name>PE-NMe2(24:0_22:0)</metabolite_name><metabolite_name>12-Oxo-2,3-dinor-10,15-phytodienoic acid</metabolite_name><metabolite_name>3-Hydroxyisovaleric acid</metabolite_name><metabolite_name>1-(9Z-hexadecenoyl)-2-hexadecanoyl-glycero-3-phosphocholine</metabolite_name><metabolite_name>Dodecanoic acid</metabolite_name><metabolite_name>Glyoxylic acid</metabolite_name><metabolite_name>Sphingomyelins</metabolite_name><metabolite_name>10-Hydroxydecanoic acid</metabolite_name><metabolite_name>2-Cyanopyrimidine</metabolite_name><metabolite_name>Paraquat dichloride</metabolite_name><metabolite_name>(+_-)-Ethyl 2-hydroxy-2-methylbutyrate</metabolite_name><metabolite_name>Isopimaric acid</metabolite_name><metabolite_name>PC(18:0_18:2)</metabolite_name><metabolite_name>2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine</metabolite_name><metabolite_name>4-Methylvaleric Acid</metabolite_name><metabolite_name>Xylonic acid</metabolite_name><metabolite_name>5-Methylhexanoic acid</metabolite_name><metabolite_name>5-Oxo-4,5-dihydro-2-furylacetic acid</metabolite_name><metabolite_name>N-Methylalanine</metabolite_name><metabolite_name>Phosphatidylserine</metabolite_name><metabolite_name>4-Carboxypyrazole</metabolite_name><metabolite_name>Adenosine-5'-triphosphate</metabolite_name><metabolite_name>13,16,19-Docosatrienoic acid</metabolite_name><metabolite_name>Thymine</metabolite_name><metabolite_name>PG(18:0_18:1)</metabolite_name><metabolite_name>Methyl 10-gingerol</metabolite_name><metabolite_name>PS(22:4_20:3)</metabolite_name><metabolite_name>2-Carboxy-5,7-dimethyl-4-octanolide</metabolite_name><metabolite_name>2-Acetylaminofluorene</metabolite_name><metabolite_name>PS(20:0_18:0)</metabolite_name><metabolite_name>Pelargonic acid</metabolite_name><metabolite_name>TxB3</metabolite_name><metabolite_name>Pyrogallol-1-O-sulphate</metabolite_name><metabolite_name>Mesalazine</metabolite_name><metabolite_name>N-(2,3-dihydroxybenzoyl)-L-serine</metabolite_name><metabolite_name>Sarcosine</metabolite_name><metabolite_name>Sulfate</metabolite_name><metabolite_name>Lactic acid</metabolite_name><metabolite_name>6,7-Benzocoumarin</metabolite_name><metabolite_name>Dichlorprop</metabolite_name><metabolite_name>Isonicotinic acid</metabolite_name><metabolite_name>Taurine</metabolite_name><metabolite_name>2,5-Dihydroxypyridine</metabolite_name><metabolite_name>Epothilone D</metabolite_name><metabolite_name>Furfuryl acetate</metabolite_name><metabolite_name>Ile-Asp</metabolite_name><metabolite_name>3,3'-Dithiobis[2-methylfuran]</metabolite_name><metabolite_name>Licochalcone B</metabolite_name><metabolite_name>Methyl 1-(1-propenylsulfinyl)propyl disulfide</metabolite_name><metabolite_name>2-Aminonicotinic acid</metabolite_name><metabolite_name>7-Chloro-2-dibenzofuranol</metabolite_name><metabolite_name>2-Methylvaleric acid</metabolite_name><metabolite_name>2-Hydroxybenzaldehyde</metabolite_name><metabolite_name>Formylanthranilic acid</metabolite_name><metabolite_name>cytidine monophosphate N-acetylneuraminic acid</metabolite_name><metabolite_name>PS(22:5_22:5)</metabolite_name><metabolite_name>1,11-Undecanedicarboxylic acid</metabolite_name><metabolite_name>2-Formylglutaric acid</metabolite_name><metabolite_name>4-Guanidinobutyric acid</metabolite_name><metabolite_name>5-Hydroxyvalproic acid</metabolite_name><metabolite_name>Iminoacetic acid</metabolite_name><metabolite_name>8-Amino-7-oxononanoic acid</metabolite_name><metabolite_name>N-Formylmethionine</metabolite_name><metabolite_name>2-(2-Thienyl)furan</metabolite_name><metabolite_name>3-Hydroxyvalproic acid</metabolite_name><metabolite_name>PE-NMe2(16:1_14:0)</metabolite_name><metabolite_name>Pentitol</metabolite_name><metabolite_name>3-Indoleacrylic acid</metabolite_name><metabolite_name>cyclic ADP-ribose</metabolite_name><metabolite_name>4-Amino-3-hydroxypyridine</metabolite_name><metabolite_name>2,3-Dihydro-2-methylthiophene</metabolite_name><metabolite_name>PE-NMe(18:1_15:0)</metabolite_name><metabolite_name>Benzenesulfonic acid, undecyl-</metabolite_name><metabolite_name>2-Methyl-4-(pyridin-3-ylethynyl)thiazole</metabolite_name><metabolite_name>Docusate</metabolite_name><metabolite_name>Yuzu-Lactone</metabolite_name><metabolite_name>Methionine</metabolite_name><metabolite_name>N-Acetyl-D-glucosamine</metabolite_name><metabolite_name>3-Hydroxynonyl acetate</metabolite_name><metabolite_name>Diacerein</metabolite_name><metabolite_name>PS(20:1_20:1)</metabolite_name><metabolite_name>trans-Vaccenic acid</metabolite_name><metabolite_name>2,5-Diethyltetrahydrofuran</metabolite_name><metabolite_name>Forskolin</metabolite_name><metabolite_name>Nicotinamide Adenine Dinucleotide Phosphate</metabolite_name><metabolite_name>2-Amino-3-oxoadipate</metabolite_name><metabolite_name>Guanosine-5'-monophosphate</metabolite_name><metabolite_name>cis-11-Eicosenoic acid</metabolite_name><metabolite_name>3-Hydroxydodecanoic acid</metabolite_name><metabolite_name>Succinimide</metabolite_name><metabolite_name>4-Hydroxyproline</metabolite_name><metabolite_name>6-ketoprostaglandin E1</metabolite_name><metabolite_name>4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol</metabolite_name><metabolite_name>1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)-</metabolite_name><metabolite_name>1,1-Dimethyl-3-phenylpropyl acetate</metabolite_name><metabolite_name>Dimethoxane</metabolite_name><metabolite_name>Pyrrole-2-carboxylic acid</metabolite_name><metabolite_name>4-Nitro-o-phenylenediamine</metabolite_name><metabolite_name>1,1-Dimethoxynonane</metabolite_name><metabolite_name>cis,cis-Muconic acid</metabolite_name><metabolite_name>L-Norleucine</metabolite_name><metabolite_name>Octopamine</metabolite_name><metabolite_name>4-Methyl-2-pentyl-1,3-dioxolane</metabolite_name><metabolite_name>3-(N-Nitrosomethylamino)propionitrile</metabolite_name><metabolite_name>4-[(E)-2-(1,2-dicarboxyethylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid</metabolite_name><metabolite_name>4-Hydroxymethylpyrazole</metabolite_name><metabolite_name>PE-NMe2(20:4_16:0)</metabolite_name><metabolite_name>PG(22:6_18:0)</metabolite_name><metabolite_name>Pentadecanoic acid</metabolite_name><metabolite_name>Azacridone A</metabolite_name><metabolite_name>N,N-dihydroxy-L-tryptophanate</metabolite_name><metabolite_name>Glu-glu</metabolite_name><metabolite_name>Glycocyamine</metabolite_name><metabolite_name>Dopamine</metabolite_name><metabolite_name>4-Hydroxycrotonic acid</metabolite_name><metabolite_name>1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Glycidyl stearate</metabolite_name><metabolite_name>p-Coumaraldehyde</metabolite_name><metabolite_name>Kojic acid</metabolite_name><metabolite_name>L-Homoarginine</metabolite_name><metabolite_name>HC Blue 1</metabolite_name><metabolite_name>Gentiatibetine</metabolite_name><metabolite_name>8,15-Dihete</metabolite_name><metabolite_name>(Z)-3-aminoacrylic acid</metabolite_name><metabolite_name>Eicosadienoic acid</metabolite_name><metabolite_name>phosphoribosyl-AMP</metabolite_name><metabolite_name>2-Chloro-(1,1'-biphenyl)-4,4'-diol</metabolite_name><metabolite_name>PE-NMe2(20:4_16:1)</metabolite_name><metabolite_name>2-Hydroxyhexadecanoic acid</metabolite_name><metabolite_name>PS(20:4_22:5)</metabolite_name><metabolite_name>Hydroxychlor</metabolite_name><metabolite_name>Eicosapentaenoic acid</metabolite_name><metabolite_name>Uracil</metabolite_name><metabolite_name>N-oleoylglycine</metabolite_name><metabolite_name>s-Hexylglutathione</metabolite_name><metabolite_name>2-Hydroxyacetophenone</metabolite_name><metabolite_name>1,7-Dimethyluric acid</metabolite_name><metabolite_name>2,4-Hexadienoic acid</metabolite_name><metabolite_name>8,9-Epoxyeicosatrienoic acid</metabolite_name><metabolite_name>1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>3-Methylbenzaldehyde</metabolite_name><metabolite_name>2-Ammonio-3-{[(2-ammonioethoxy)phosphinato]oxy}propanoate</metabolite_name><metabolite_name>4-Oxo-L-proline</metabolite_name><metabolite_name>Creatine</metabolite_name><metabolite_name>Cosmosiin</metabolite_name><metabolite_name>Inosinic acid</metabolite_name><metabolite_name>4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol</metabolite_name><metabolite_name>5-Aminolevulinic acid</metabolite_name><metabolite_name>o-Methoxyphenyl sulfate</metabolite_name><metabolite_name>Oleoylcarnitine</metabolite_name><metabolite_name>9-Oxo-nonanoic acid</metabolite_name><metabolite_name>Oxiglutatione</metabolite_name><metabolite_name>PE-NMe2(24:0_24:0)</metabolite_name><metabolite_name>Behenic acid</metabolite_name><metabolite_name>Cholesterol sulfate</metabolite_name><metabolite_name>Cytosine</metabolite_name><metabolite_name>PE(18:0_20:4)</metabolite_name><metabolite_name>1,2-benzisothiazol-3(2H)-one</metabolite_name><metabolite_name>Dihydrojasmonic acid</metabolite_name><metabolite_name>5-betD-Ribofuranosylpicolinamide adenine-dinucleotide</metabolite_name><metabolite_name>Isopentenyl pyrophosphate</metabolite_name><metabolite_name>Ethylmethylacetic acid</metabolite_name><metabolite_name>2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione</metabolite_name><metabolite_name>4-Ethylphenyl sulfate</metabolite_name><metabolite_name>9,10-Dihydroxystearic acid</metabolite_name><metabolite_name>Purpurin</metabolite_name><metabolite_name>Grevillol</metabolite_name><metabolite_name>LPE(18:1_0:0)</metabolite_name><metabolite_name>3-Oxooctadecanoic acid</metabolite_name><metabolite_name>3-Amino-3-(4-hydroxyphenyl)propanoic acid</metabolite_name><metabolite_name>12-Methyltridecanoic acid</metabolite_name><metabolite_name>Glyceraldehyde-3-phosphate</metabolite_name><metabolite_name>Pyrocatechol sulfate</metabolite_name><metabolite_name>Hydroxyquinoline</metabolite_name><metabolite_name>1,2,3,5,6,8-Hexathionane</metabolite_name><metabolite_name>Hymexazol</metabolite_name><metabolite_name>PC(18:1_15:0)</metabolite_name><metabolite_name>Myristic acid</metabolite_name><metabolite_name>Arabitol</metabolite_name><metabolite_name>Acetohydroxamic Acid</metabolite_name><metabolite_name>Paraxanthine</metabolite_name><metabolite_name>L-Cysteine, S-propyl-</metabolite_name><metabolite_name>Hypoxanthine</metabolite_name><metabolite_name>tyrosine</metabolite_name><metabolite_name>PE-NMe2(24:0_24:1)</metabolite_name><metabolite_name>Acetic acid</metabolite_name><metabolite_name>2,4-Dinitrophenol</metabolite_name><metabolite_name>Psilocybine</metabolite_name><metabolite_name>Dephospho-CoA</metabolite_name><metabolite_name>Adrenic acid</metabolite_name><metabolite_name>PE-NMe2(16:1_16:0)</metabolite_name><metabolite_name>1,2-Dioleoyl-sn-Glycero-3-Phosphocholine</metabolite_name><metabolite_name>4-Dodecylbenzenesulfonic acid</metabolite_name><metabolite_name>Dinoterb</metabolite_name><metabolite_name>Permethrin</metabolite_name><metabolite_name>Hippuric acid</metabolite_name><metabolite_name>Ethofumesate</metabolite_name><metabolite_name>2,4,6-Trihydroxybenzoic acid</metabolite_name><metabolite_name>Fuberidazole</metabolite_name><metabolite_name>Flavidulol A</metabolite_name><metabolite_name>4-Hydroxy-9-fluorenone</metabolite_name><metabolite_name>2-Methylhexano-6-lactone</metabolite_name><metabolite_name>Arabinose</metabolite_name><metabolite_name>3-Aminopiperidine-2,6-dione</metabolite_name><metabolite_name>Methocarbamol</metabolite_name><metabolite_name>GDP-L-fucose</metabolite_name><metabolite_name>N-acetylmuramic acid 1-phosphate</metabolite_name><metabolite_name>2-Hydroxy-4-imino-2,5-cyclohexadienone</metabolite_name><metabolite_name>UDP-beta-L-threo-pentopyranos-4-ulose</metabolite_name><metabolite_name>2-Hydroxy-3-(phosphonooxy)propyl stearate</metabolite_name><metabolite_name>Oxaloglutarate</metabolite_name><metabolite_name>1,2-Dioleoyl-sn-glycero-3-phosphate</metabolite_name><metabolite_name>Undecylenic acid</metabolite_name><metabolite_name>4-Formyl-2-hydroxybenzoic acid</metabolite_name><metabolite_name>2-Methyl-3-hydroxybutyric acid</metabolite_name><metabolite_name>Vernolic acid</metabolite_name><metabolite_name>3-Hydroxy-5Z-octenyl acetate</metabolite_name><metabolite_name>coenzyme F420-1</metabolite_name><metabolite_name>phenylalanine</metabolite_name><metabolite_name>Benzene oxide</metabolite_name><metabolite_name>5alphAndrostane</metabolite_name><metabolite_name>5-oxoETE</metabolite_name><metabolite_name>3-hydroxy-tetradecanoic acid</metabolite_name><metabolite_name>Lythramine</metabolite_name><metabolite_name>Oxoadipic acid</metabolite_name><metabolite_name>L-Propargylglycine</metabolite_name><metabolite_name>PS(22:5_22:4)</metabolite_name><metabolite_name>Isobutyric acid</metabolite_name><metabolite_name>prostaglandin B2</metabolite_name><metabolite_name>2-Hydroxy-3-(1H-imidazol-5-yl)propanoic acid</metabolite_name><metabolite_name>1-Vaccenoyl-2-pentadecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>12-HOME</metabolite_name><metabolite_name>Aceglutamide</metabolite_name><metabolite_name>4-Hydroxy-3-methylbenzaldehyde</metabolite_name><metabolite_name>2-Ethylhexanoic acid</metabolite_name><metabolite_name>1,2-Dihydroaceanthrylene</metabolite_name><metabolite_name>Ribose-1-phosphate</metabolite_name><metabolite_name>Uridine-5'-diphospho-N-acetylgalactosamine disodium salt</metabolite_name><metabolite_name>Isoxazolin-5-one</metabolite_name><metabolite_name>1,3-Dihydroimidazol-2-one</metabolite_name><metabolite_name>Inosine</metabolite_name><metabolite_name>Purine</metabolite_name><metabolite_name>Nonanal propyleneglycol acetal</metabolite_name><metabolite_name>2-Methylsuccinic Acid</metabolite_name><metabolite_name>Arabinosylhypoxanthine</metabolite_name><metabolite_name>LPE(18:0_0:0)</metabolite_name><metabolite_name>Lumichrome</metabolite_name><metabolite_name>Hexane, 1,1'-[ethylidenebis(oxy)]bis-</metabolite_name><metabolite_name>Glutamine</metabolite_name><metabolite_name>Terpendole E</metabolite_name><metabolite_name>Levonordefrin</metabolite_name><metabolite_name>Phenylacetic acid</metabolite_name><metabolite_name>PA(20:1_22:6)</metabolite_name><metabolite_name>2,2-Dimethylbutyric acid</metabolite_name><metabolite_name>Cholic acid</metabolite_name><metabolite_name>3,4-Dimethylbenzoic acid</metabolite_name><metabolite_name>Palmitic acid</metabolite_name><metabolite_name>Arachidonic acid</metabolite_name><metabolite_name>Firefly luciferin</metabolite_name><metabolite_name>Ethenyl acetate</metabolite_name><metabolite_name>Histidine</metabolite_name><metabolite_name>16-Hydroxyhexadecanoic acid</metabolite_name><metabolite_name>1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Imidazole-4-methanol</metabolite_name><metabolite_name>PA(20:0_18:3)</metabolite_name><metabolite_name>Valylcysteine</metabolite_name><metabolite_name>2-Aminoacrylic acid</metabolite_name><metabolite_name>Epoxyeremopetasinorol</metabolite_name><metabolite_name>Tyramine</metabolite_name><metabolite_name>1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Quinaldine</metabolite_name><metabolite_name>3-Hydroxybenzaldehyde</metabolite_name><metabolite_name>Benzenebutanoic acid</metabolite_name><metabolite_name>Nervonic acid</metabolite_name><metabolite_name>Dexrazoxane</metabolite_name><metabolite_name>4-CDP-2-C-methyl-D-erythritol</metabolite_name><metabolite_name>Moschamine</metabolite_name><metabolite_name>(S)-Methylmalonic acid semialdehyde</metabolite_name><metabolite_name>(S)-14-Methylhexadecanoic acid</metabolite_name><metabolite_name>Dodecanal dimethyl acetal</metabolite_name><metabolite_name>Sebacic acid</metabolite_name><metabolite_name>Phosphoric Acid</metabolite_name><metabolite_name>2-Hydroxystearic acid</metabolite_name><metabolite_name>PE-NMe2(18:0_18:4)</metabolite_name><metabolite_name>N-hydroxy-L-isoleucine</metabolite_name><metabolite_name>3-Hexenedioic acid</metabolite_name><metabolite_name>Dicamba</metabolite_name><metabolite_name>Resolvin D1</metabolite_name><metabolite_name>Norfenefrine</metabolite_name><metabolite_name>Phenol red</metabolite_name><metabolite_name>2-Methyl-2-(methyldithio)propanal</metabolite_name><metabolite_name>1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Bovinic acid</metabolite_name><metabolite_name>Orotidylic acid</metabolite_name><metabolite_name>2,4,4-Trimethylcyclopentanone</metabolite_name><metabolite_name>PE(P-18:0_22:6)</metabolite_name><metabolite_name>L-Menthyl (R,S)-3-hydroxybutyrate</metabolite_name><metabolite_name>Ethyl isopropyl ketone</metabolite_name><metabolite_name>Acetylenedicarboxylic acid</metabolite_name><metabolite_name>Tax4(20),11(12)-dien-5alphyl acetate</metabolite_name><metabolite_name>Dihydrocaffeoyl-CoA</metabolite_name><metabolite_name>Picolinic acid</metabolite_name><metabolite_name>7,9-Docosanedione</metabolite_name><metabolite_name>Succinic acid semialdehyde</metabolite_name><metabolite_name>2-Aminobenzimidazole</metabolite_name><metabolite_name>Furfuryl alcohol</metabolite_name><metabolite_name>Astragalin</metabolite_name><metabolite_name>4-Hydroxy-3-methylbenzoic acid</metabolite_name><metabolite_name>Pyroglutamic acid</metabolite_name><metabolite_name>3-Hydroxyoctanoic acid</metabolite_name><metabolite_name>Coenzyme A</metabolite_name><metabolite_name>S-Glutathionyl-L-cysteine</metabolite_name><metabolite_name>Cyclocreatine</metabolite_name><metabolite_name>trans-Zeatin riboside triphosphate</metabolite_name><metabolite_name>Isopalmitic acid</metabolite_name><metabolite_name>Hydroxyphenyllactic acid</metabolite_name><metabolite_name>Alanine</metabolite_name><metabolite_name>Levulinic acid</metabolite_name><metabolite_name>Dodecanedioic acid</metabolite_name><metabolite_name>Tryptophan</metabolite_name><metabolite_name>Linoelaidic acid</metabolite_name><metabolite_name>Xanthine</metabolite_name><metabolite_name>4-Imidazolone</metabolite_name><metabolite_name>h-gammGlu-leu-oh</metabolite_name><metabolite_name>3-Hydroxyhexadecanoic acid</metabolite_name><metabolite_name>ADP-ribose</metabolite_name><metabolite_name>DL-Dopa</metabolite_name><metabolite_name>Prednisone acetate</metabolite_name><metabolite_name>Uridine diphosphate glucuronic acid</metabolite_name><metabolite_name>N-Acetyl-betalanine</metabolite_name><metabolite_name>PE-NMe2(18:1_18:1)</metabolite_name><metabolite_name>Heptyl ketone</metabolite_name><metabolite_name>1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol</metabolite_name><metabolite_name>1-Stearoylglycerophosphoserine</metabolite_name><metabolite_name>2-Hydroxybutanoic Acid</metabolite_name><metabolite_name>N-Acetyl-L-alanine</metabolite_name><metabolite_name>LPS(22:6)</metabolite_name><metabolite_name>Caryoptin</metabolite_name><metabolite_name>(x)-2-Heptanol glucoside</metabolite_name><metabolite_name>Deoxy-5-methylcytosine-ester</metabolite_name><metabolite_name>Phenyl acetate</metabolite_name><metabolite_name>2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one</metabolite_name><metabolite_name>Nicotinic acid</metabolite_name><metabolite_name>1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>5-Hydroxymethyluracil</metabolite_name><metabolite_name>Norsalsolinol</metabolite_name><metabolite_name>1,3,5-Trichloro-2-methoxybenzene</metabolite_name><metabolite_name>5-Acetylamino-6-formylamino-3-methyluracil</metabolite_name><metabolite_name>2,6-Diamino-4-nitrotoluene</metabolite_name><metabolite_name>FFA(19:1)</metabolite_name><metabolite_name>Pantetheine</metabolite_name><metabolite_name>Tiglylglycine</metabolite_name><metabolite_name>Indole-3-acetamide</metabolite_name><metabolite_name>2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid</metabolite_name><metabolite_name>Butyl nitrite</metabolite_name><metabolite_name>Furmecyclox</metabolite_name><metabolite_name>2-hydroxyacrylic Acid</metabolite_name><metabolite_name>4-Amino-3-hydroxybutyrate</metabolite_name><metabolite_name>4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI</metabolite_name><metabolite_name>Malic acid</metabolite_name><metabolite_name>Nicotinamide N-oxide</metabolite_name><metabolite_name>3-Oxododecanoic acid</metabolite_name><metabolite_name>3-Phosphoglyceric acid</metabolite_name><metabolite_name>1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane</metabolite_name><metabolite_name>2-Piperidinone</metabolite_name><metabolite_name>Hydriodic acid</metabolite_name><metabolite_name>Daphnetin</metabolite_name><metabolite_name>7-Methylxanthine</metabolite_name><metabolite_name>Isobutyrylglycine</metabolite_name><metabolite_name>o-Tyrosine</metabolite_name><metabolite_name>16-Oxohexadecanoic acid</metabolite_name><metabolite_name>Dimethyl carbonate</metabolite_name><metabolite_name>1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine</metabolite_name><metabolite_name>4-Hydroxybenzenesulfonic acid</metabolite_name><metabolite_name>PE-NMe2(18:1_16:1)</metabolite_name><metabolite_name>N-Methyl-aminoisobutyric acid</metabolite_name><metabolite_name>PE-NMe2(18:2_16:0)</metabolite_name><metabolite_name>3-Methylindole</metabolite_name><metabolite_name>Undecanedioic acid</metabolite_name><metabolite_name>1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>2-Hydroxy-2-methylbutyric acid</metabolite_name><metabolite_name>Traumatin</metabolite_name><metabolite_name>2-Isopropyl-4-methyl-1,3-dioxolane</metabolite_name><metabolite_name>Oxypurinol</metabolite_name><metabolite_name>Pyruvic Acid</metabolite_name><metabolite_name>4'-Phosphopantetheine</metabolite_name><metabolite_name>Sedoheptulose</metabolite_name><metabolite_name>12-Hydroxystearic acid</metabolite_name><metabolite_name>Epigallocatechin</metabolite_name><metabolite_name>PA(22:6_22:2)</metabolite_name><metabolite_name>Deoxycytidine diphosphate</metabolite_name><metabolite_name>Guanosine-5'-diphosphate</metabolite_name><metabolite_name>Hydantoin</metabolite_name><metabolite_name>5-amino-1H-imidazole-4-carboxylic acid</metabolite_name><metabolite_name>Elaidic acid</metabolite_name><metabolite_name>LPI(18:1)</metabolite_name><metabolite_name>(S)-Mandelic acid O-betD-Glucopyranoside</metabolite_name><metabolite_name>PE-NMe2(18:2_16:1)</metabolite_name><metabolite_name>p-Cresol</metabolite_name><metabolite_name>Vaporole</metabolite_name><metabolite_name>Azelaic acid</metabolite_name><metabolite_name>(S)-2-hydroxy-3-(1H-imidazol-4-yl)propanoic acid</metabolite_name><metabolite_name>9,10-Epoxystearic acid</metabolite_name><metabolite_name>PC(18:1_P-16:0)</metabolite_name><metabolite_name>(E)-but-2-enedioate;hydron</metabolite_name><metabolite_name>Valproic Acid</metabolite_name><metabolite_name>Perillic acid</metabolite_name><metabolite_name>1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Epinephrine</metabolite_name><metabolite_name>Anigorufone</metabolite_name><metabolite_name>Lacto-N-triaose</metabolite_name><metabolite_name>Benzoyl chloride</metabolite_name><metabolite_name>Kurarinol</metabolite_name><metabolite_name>4-Chloro-L-phenylalanine</metabolite_name><metabolite_name>Chlormephos</metabolite_name><metabolite_name>Cytidine-5'-diphosphate</metabolite_name><metabolite_name>(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone</metabolite_name><metabolite_name>Imidazoleacetic acid</metabolite_name><metabolite_name>Hexadecenoic acid</metabolite_name><metabolite_name>2-Methoxy-6-methylpyrazine</metabolite_name><metabolite_name>Glycolaldehyde</metabolite_name><metabolite_name>Tartaric acid</metabolite_name><metabolite_name>Demanyl phosphate</metabolite_name><metabolite_name>9-beta-d-Arabinofuranosylguanine</metabolite_name><metabolite_name>FAA(18:1)</metabolite_name><metabolite_name>3b-Hydroxy-5-cholenoic acid</metabolite_name><metabolite_name>Erythrulose</metabolite_name><metabolite_name>1-Heptadecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Norvaline</metabolite_name><metabolite_name>Vanillin</metabolite_name><metabolite_name>Methylmalonic Acid</metabolite_name><metabolite_name>1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Sinapoylspermine</metabolite_name><metabolite_name>5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol</metabolite_name></additional><is_claimable>false</is_claimable><name>M3-Driven Hexosamine Biosynthesis Facilitates Hepatocellular Carcinoma Progression through YBX1 O-GlcNAcylation</name><description>Phosphoglucomutase 3 (PGM3) is one of the rate-limiting enzymes in the hexosamine biosynthesis pathway (HBP) and a key regulator of HBP metabolic flux. Despite the functional role of PGM3 has been validated in various tumors, its function and molecular mechanism in hepatocellular carcinoma (HCC) remain to be elucidated. This study found that PGM3 expression is upregulated in HCC tissues, and high PGM3 expression is closely associated with poor prognosis in HCC patients. In vitro and in vivo results demonstrated that PGM3 enhances UDP-GlcNAc synthesis and protein O-GlcNAcylation, thereby promoting HCC proliferation, migration, and invasion. Further O-GlcNAcylomic sequencing of HCC cells identified Y-box binding protein 1 (YBX1) as a key substrate for PGM3-mediated O-GlcNAcylation. Notably, O-GlcNAcylation of YBX1 at a specific serine residue (Ser165) enhances its nuclear translocation. Additionally, we validated that FR054, a novel reported PGM3 inhibitor, retards HCC progression by diminishing PGM3-mediated O-GlcNAcylation. These interventions effectively inhibit HCC malignant progression. Collectively, our findings reveal the potential therapeutic value of targeting the PGM3-HBP-YBX1 signaling axis in HCC 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