<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/MTBLS15272/m_MTBLS15272_LC-MS_positive_hilic_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/m_MTBLS15272_LC-MS_negative_hilic_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/a_MTBLS15272_LC-MS_positive_hilic.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/i_Investigation.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/s_MTBLS15272.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/a_MTBLS15272_LC-MS_negative_hilic.txt</Txt><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_4.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_1.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_QC03.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_QC02.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_4.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_1.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_1.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_4.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_2.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_4.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_6.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_2.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_6.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_3.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_2.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_5.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_3.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_QC01.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_5.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_QC03.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_QC02.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_5.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_5.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_QC01.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_UA159_2.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_6.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_6.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/POS/POS_Hf28JLY_rcrR_3.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_rcrR_1.wiff.zip</Wiff><Wiff>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15272/FILES/RAW_FILES/NEG/NEG_Hf28JLY_UA159_3.wiff.zip</Wiff></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/MTBLS15272</ftp_download_link><metabolite_identification_protocol>&lt;p>At the same time, the metabolites were identified by searching database, and the main databases were the&amp;nbsp;HMDB (http://www.hmdb.ca/), Metlin ( https://metlin.scripps.edu/)&amp;nbsp;&amp;nbsp;and Majorbio Database .&amp;nbsp;&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>The LC-MS/MS analysis of sample was conducted on a Thermo Scientific Q Exactive HF-X system equipped with an ACQUITY HSS T3 column (100 mm × 2.1 mm i.d., 1.8 μm; Waters, USA) at&amp;nbsp;Majorbio Bio-Pharm Technology Co. Ltd. (Shanghai, China). The mobile phases consisted of 0.1% formic acid in water:acetonitrile (95:5, v/v) (solvent A) and 0.1% formic acid in acetonitrile:isopropanol:water (47.5:47.5, v/v) (solvent B). The flow rate was 0.40 mL/min and the column temperature was 40℃. The injection volume was 3 μL.&lt;/p></chromatography_protocol><publication>RcrR: A Multifunctional Transcriptional Regulator Orchestrating the cariogenic virulence of Streptococcus mutans.</publication><submitter_name>he xuan</submitter_name><submitter_affiliation>Kunming Medical University</submitter_affiliation><organism_part>Biofilm</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p> 50 mg solid sample was added to a 2 mL centrifuge tube and a 6 mm diameter grinding bead was added. 400 μL of extraction solution (methanol: water = 4:1 (v:v)) containing 0.02 mg/mL of internal standard (L-2-chlorophenylalanine) was used for metabolite extraction. Samples were ground by the Wonbio-96c ( Shanghai wanbo biotechnology co., LTD) frozen tissue grinder for 6 min (-10°C, 50 Hz), followed by low-temperature ultrasonic extraction for 30 min (5°C, 40 kHz). The samples were left at -20°C for 30 min, centrifuged for 15 min (4°C, 13000 g), and the supernatant was transferred to the injection vial for LC-MS/MS analysis.&lt;/p></extraction_protocol><organism>Streptococcus mutans</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS15272</full_dataset_link><author>Huo Lijun. Kunming Medical University. huolijun1039@kmmu.edu.cn.</author><author>he xuan. Kunming Medical University. hx707400@163.com.</author><data_transformation_protocol>&lt;p>The pretreatment of LC/MS raw data was performed by&amp;nbsp;Progenesis QI (Waters Corporation, Milford, USA)&amp;nbsp;software, and a three-dimensional data matrix in CSV format was exported. The information in this three-dimensional matrix included: sample information, metabolite name and mass spectral response intensity. Internal standard peaks, as well as any known false positive peaks (including noise, column bleed, and derivatized reagent peaks), were removed from the data matrix, deredundant and peak pooled.&lt;/p></data_transformation_protocol><study_factor>Treatment</study_factor><submitter_email>hx707400@163.com</submitter_email><sample_collection_protocol>&lt;p>Streptococcus mutans isolates were preserved at -80°C prior to being transported to a service provider for untargeted metabolomic profiling.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Thermo Scientific Vanquish UHPLC System</study_design><study_design>Metabolomics</study_design><study_design>untargeted analysis</study_design><study_design>Acid tolerance</study_design><study_design>Thermo Scientific Q Exactive HF-X</study_design><study_design>RcrR</study_design><study_design>Biofilm</study_design><study_design>experimental blank</study_design><study_design>Streptococcus mutans</study_design><study_design>untargeted metabolite profiling</study_design><curator_keywords>Thermo Scientific Vanquish UHPLC System</curator_keywords><curator_keywords>Metabolomics</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Acid tolerance</curator_keywords><curator_keywords>Thermo Scientific Q Exactive HF-X</curator_keywords><curator_keywords>RcrR</curator_keywords><curator_keywords>Biofilm</curator_keywords><curator_keywords>experimental blank</curator_keywords><curator_keywords>Streptococcus mutans</curator_keywords><curator_keywords>untargeted metabolite profiling</curator_keywords><mass_spectrometry_protocol>&lt;p>&amp;nbsp;The mass spectrometric data were collected using a Thermo Scientific Q Exactive HF-X equipped with an electrospray ionization (ESI) source operating in positive mode and negative mode. The optimal conditions were set as followed: source temperature at 425℃; sheath gas flow rate at 50 arb; Aux gas flow rate at 13 arb; ion-spray voltage floating (ISVF) at -3500V in negative mode and 3500V in positive mode, respectively; Normalized collision energy , 20-40-60V rolling for MS/MS. Full MS resolution was 60000, and MS/MS resolution was 7500. Data acquisition was performed with the Data Dependent Acquisition (DDA) mode. The detection was carried out over a mass range of 50-1200 m/z.&lt;/p></mass_spectrometry_protocol><metabolite_name>Benzoyl-Dl-Arginine-Naphthylamide</metabolite_name><metabolite_name>Ps(15:0/14:0)</metabolite_name><metabolite_name>Pa(20:5(5Z,8Z,11Z,14Z,16E)-Oh(18R)/18:3(6Z,9Z,12Z))</metabolite_name><metabolite_name>Trp Ala Arg</metabolite_name><metabolite_name>3-Hexanoyl-Nbd Cholesterol</metabolite_name><metabolite_name>9,10-Epoxystearic Acid</metabolite_name><metabolite_name>Flumethasone</metabolite_name><metabolite_name>Indican</metabolite_name><metabolite_name>Caprolactam</metabolite_name><metabolite_name>(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-Dienoic Acid</metabolite_name><metabolite_name>Guanosine 5'-Diphosphate (Gdp)</metabolite_name><metabolite_name>Adlupone</metabolite_name><metabolite_name>Dibutyl Sebacate</metabolite_name><metabolite_name>Methyl 3,5-Di-Tert-Butyl-4-Hydroxybenzoate</metabolite_name><metabolite_name>Metaphosphoric Acid</metabolite_name><metabolite_name>Pro-Leu</metabolite_name><metabolite_name>Dg(A-17:0/Lte4/0:0)</metabolite_name><metabolite_name>1-(Beta-D-Glucopyranosyloxy)-3-Octanone</metabolite_name><metabolite_name>Pa(Txb2/I-14:0)</metabolite_name><metabolite_name>2-Anthraquinonesulfonic Acid</metabolite_name><metabolite_name>2-(Ethoxymethyl)Phenol</metabolite_name><metabolite_name>Lys Glu Gln</metabolite_name><metabolite_name>Deoxycholic Acid</metabolite_name><metabolite_name>Linolenic Acid</metabolite_name><metabolite_name>D-Fructose-1,6-Diphosphate</metabolite_name><metabolite_name>D-Glucosaminide</metabolite_name><metabolite_name>Gardneramine</metabolite_name><metabolite_name>Chlorobenzene</metabolite_name><metabolite_name>5(S),6(R)-Dihete</metabolite_name><metabolite_name>7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-Hydroxyoctyl]Cyclopentyl]Heptanoylcarnitine</metabolite_name><metabolite_name>Flavin Adenine Dinucleotide (Fad)</metabolite_name><metabolite_name>5-Hydroxycapsanthin-5,6-Epoxide</metabolite_name><metabolite_name>Ethyl Myristate</metabolite_name><metabolite_name>Manoyl Oxide</metabolite_name><metabolite_name>Ps(15:0/18:4(6Z,9Z,12Z,15Z))</metabolite_name><metabolite_name>Anisperimus</metabolite_name><metabolite_name>2-Oxa-4,7,12-Triazatridecan-13-Oic Acid, 9-Hydroxy-5-(1-Methylethyl)-3,6-Dioxo-8,11-Bis(Phenylmethyl)-1-(2-Pyridinyl)-, 3-Pyridinylmethyl Ester, (5S,8S,9S,11S)-</metabolite_name><metabolite_name>2-Hydroxy-4-Methoxy-3,5-Bis(3-Methylbut-2-Enyl)-6-Pentylbenzoic Acid</metabolite_name><metabolite_name>Cer(D18:1/Pge2)</metabolite_name><metabolite_name>3-Phenyl-1-Propanol</metabolite_name><metabolite_name>3-Gonal</metabolite_name><metabolite_name>Asiatic Acid</metabolite_name><metabolite_name>Ethyl 2-Methyl-3-Pentenoate</metabolite_name><metabolite_name>5-(Hydroxyphenyl)-Gamma-Valerolactone-O-Sulphate</metabolite_name><metabolite_name>Styrene</metabolite_name><metabolite_name>Nicotinamide Adenine Dinucleotide Phosphate</metabolite_name><metabolite_name>Delta-Valerobetaine</metabolite_name><metabolite_name>Val Glu Ser</metabolite_name><metabolite_name>Lauryl Diethanolamide</metabolite_name><metabolite_name>Geranylgeraniol</metabolite_name><metabolite_name>Ophiopogonoside A</metabolite_name><metabolite_name>Fraxidin</metabolite_name><metabolite_name>Soyasapogenol E</metabolite_name><metabolite_name>Phthalic Acid</metabolite_name><metabolite_name>Lauryldiethanolamine</metabolite_name><metabolite_name>Lysope(0:0/24:1(15Z))</metabolite_name><metabolite_name>Diguanosine Triphosphate</metabolite_name><metabolite_name>Udp-N-Acetylmuraminate</metabolite_name><metabolite_name>Linoleamide</metabolite_name><metabolite_name>Pc(16:1(9Z)/24:1(15Z))</metabolite_name><metabolite_name>L-Norleucine</metabolite_name><metabolite_name>Phosphate</metabolite_name><metabolite_name>Hexamethoxymethyl Melamine</metabolite_name><metabolite_name>Lysopc(22:2(13Z,16Z)/0:0)</metabolite_name><metabolite_name>1-Acetyl-Beta-Carboline</metabolite_name><metabolite_name>Cyclopropanecarboxamide, 1,2,2,3,3-Pentamethyl-</metabolite_name><metabolite_name>3-Benzoyloxy-11-Oxo-12-Ursen-28-Oic Acid</metabolite_name><metabolite_name>2,4-Hexadienyl Propionate</metabolite_name><metabolite_name>Decapropylene Glycol</metabolite_name><metabolite_name>2,3-Epoxyphylloquinone</metabolite_name><metabolite_name>Niacinamide</metabolite_name><metabolite_name>Dg(18:0/18:2(9Z,12Z)/0:0)</metabolite_name><metabolite_name>Luseogliflozin</metabolite_name><metabolite_name>Ile Arg Leu</metabolite_name><metabolite_name>Cytidine 3'-Monophosphate</metabolite_name><metabolite_name>Nicotinamide Adenine Dinucleotide</metabolite_name><metabolite_name>Estrane</metabolite_name><metabolite_name>Beta-D-Glucosyloxydestruxin B</metabolite_name><metabolite_name>Mg(0:0/18:3(6Z,9Z,12Z)/0:0)</metabolite_name><metabolite_name>Ps(18:0/18:3(6Z,9Z,12Z))</metabolite_name><metabolite_name>Bisindolylmaleimide I</metabolite_name><metabolite_name>Oleamide</metabolite_name><metabolite_name>4-O-Methyl-A-D-Glucosyl-(1->2)-B-D-Xylosyl-(1->4)-D-Xylose</metabolite_name><metabolite_name>Cer(D18:0/18:0)</metabolite_name><metabolite_name>Hexylamine</metabolite_name><metabolite_name>(5Z,7Z,10Z,13Z,16Z,19Z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoylcarnitine</metabolite_name><metabolite_name>Bis(2-Ethylhexyl) Adipate</metabolite_name><metabolite_name>Pe(14:1(9Z)/14:1(9Z))</metabolite_name><metabolite_name>1-Cyclohexyl-3-[[1-(Hydroxymethyl)Cyclopropyl]Methyl]Urea</metabolite_name><metabolite_name>8-Amino-7-Oxononanoic Acid</metabolite_name><metabolite_name>Tris(1-Chloro-2-Propyl) Phosphate</metabolite_name><metabolite_name>D-Aspartic Acid</metabolite_name><metabolite_name>Hexadecanedioic Acid</metabolite_name><metabolite_name>Mjdbissp00000001</metabolite_name><metabolite_name>Mjdbissp00000002</metabolite_name><metabolite_name>Neuromedin B (1-3)</metabolite_name><metabolite_name>Mjdbissp00000009</metabolite_name><metabolite_name>1-(2-Furanyl)-1-Butanone</metabolite_name><metabolite_name>Galactosylceramide (D18:1/18:1(9Z))</metabolite_name><metabolite_name>Dehydrotumulosic Acid</metabolite_name><metabolite_name>7-(3,4-Diethoxyphenyl)-3-[(4-Fluorophenyl)Methyl]Thieno[3,2-D]Pyrimidin-4-One</metabolite_name><metabolite_name>(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-Dihydro-3',5,8'-Trihydroxy-Beta,Kappa-Caroten-6'-One</metabolite_name><metabolite_name>Ala Glu Gly</metabolite_name><metabolite_name>Laurocapram</metabolite_name><metabolite_name>Oleaside A</metabolite_name><metabolite_name>Chaps</metabolite_name><metabolite_name>25-Hydroxyvitamin D2-25-Glucuronide</metabolite_name><metabolite_name>Methyl 3-[[2-[4-(Dimethylamino)Phenyl]Imidazo[1,2-A]Pyrazin-3-Yl]Amino]Benzoate</metabolite_name><metabolite_name>1-Piperideine</metabolite_name><metabolite_name>Falecalcitriol</metabolite_name><metabolite_name>Pyridine</metabolite_name><metabolite_name>2-Aminooctadecane-1,3-Diol</metabolite_name><metabolite_name>Ht-2 Toxin</metabolite_name><metabolite_name>(8R,9R,10S,13R,14S)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-Hexadecahydrocyclopenta[A]Phenanthrene-13-Carbaldehyde</metabolite_name><metabolite_name>19-Hydroxyprostaglandin E1</metabolite_name><metabolite_name>Brassinolide</metabolite_name><metabolite_name>Serylserine</metabolite_name><metabolite_name>Cer(D16:1/20:5(7Z,9Z,11E,13E,17Z)-3Oh(5,6,15))</metabolite_name><metabolite_name>3-Hydroxytetradecanedioic Acid</metabolite_name><metabolite_name>3-Hydroxysintaxanthin</metabolite_name><metabolite_name>Veraguensin</metabolite_name><metabolite_name>Dg(24:1(15Z)/15:0/0:0)</metabolite_name><metabolite_name>Lysope(24:1(15Z)/0:0)</metabolite_name><metabolite_name>N-Nervonoyl Cysteine</metabolite_name><metabolite_name>Alpha-Tocopherol Succinate</metabolite_name><metabolite_name>Corchoionoside B</metabolite_name><metabolite_name>N-Acetyl-D-Galactosamine</metabolite_name><metabolite_name>Galactosylsphingosine</metabolite_name><metabolite_name>4-Oxo-2-Nonenal</metabolite_name><metabolite_name>(2S)-2-(4-Chloroanilino)Propanoic Acid</metabolite_name><metabolite_name>Palmitoleamide</metabolite_name><metabolite_name>7-[3-Hydroxy-2-(3-Hydroxyoctyl)-5-Oxocyclopentyl]Heptanoic Acid</metabolite_name><metabolite_name>16,16-Dimethyl Prostaglandin E1</metabolite_name><metabolite_name>Acetyl Tributyl Citrate</metabolite_name><metabolite_name>Adenosine</metabolite_name><metabolite_name>N,N-Diisopropylethylamine</metabolite_name><metabolite_name>4-Trimethylammoniobutanoic Acid</metabolite_name><metabolite_name>Bax Inhibitor Peptide V5</metabolite_name><metabolite_name>Nad</metabolite_name><metabolite_name>Pe(14:1(9Z)/14:0)</metabolite_name><metabolite_name>Tacrolimus</metabolite_name><metabolite_name>Ala-Ala-Ala</metabolite_name><metabolite_name>1,3-Benzodioxolylbutanamine</metabolite_name><metabolite_name>Ganoderic Acid Theta</metabolite_name><metabolite_name>Metoprolol Tartrate</metabolite_name><metabolite_name>3-Rha-Ara-Glcua-Soyasapogenol B</metabolite_name><metabolite_name>Dg(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)</metabolite_name><metabolite_name>(10R,13S,17S)-17-Hydroxy-13-Methyl-10-[(4-Methylphenyl)Methyl]-17-Prop-1-Ynyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-3-One</metabolite_name><metabolite_name>Nicotinate Adenine Dinucleotide Phosphate</metabolite_name><metabolite_name>Deoxyguanylic Acid</metabolite_name><metabolite_name>Peimine</metabolite_name><metabolite_name>Butyryl Trihexyl Citrate</metabolite_name><metabolite_name>Dodecanamide</metabolite_name><metabolite_name>L-Phenylalanine</metabolite_name><metabolite_name>Cyclic Adp-Ribose</metabolite_name><metabolite_name>3,7-Dihydroxy-25-Methoxycucurbita-5,23-Dien-19-Al</metabolite_name><metabolite_name>Erythro-8,10-Pentatriacontanediol</metabolite_name><metabolite_name>Phenytoin Quinone</metabolite_name><metabolite_name>Pe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Humulol</metabolite_name><metabolite_name>Yuzu Lactone</metabolite_name><metabolite_name>Pe(14:0/20:3(6,8,11)-Oh(5))</metabolite_name><metabolite_name>1-Adamantanecarbonyl-Rf-Nh2</metabolite_name><metabolite_name>Leu Pro Arg</metabolite_name><metabolite_name>Lauramine Oxide</metabolite_name><metabolite_name>Carpaine</metabolite_name><metabolite_name>Orotidylic Acid</metabolite_name><metabolite_name>N-Isobutyloctadeca-Trans-2-Trans-4-Dienamide</metabolite_name><metabolite_name>Ps(18:2(9Z,12Z)/16:0)</metabolite_name><metabolite_name>Deforolimus</metabolite_name><metabolite_name>Arg Cys Tyr</metabolite_name><metabolite_name>Phosphonoacetic Acid</metabolite_name><metabolite_name>Val Glu Ala</metabolite_name><metabolite_name>Cysteinyl-Methionine</metabolite_name><metabolite_name>Elaidic Acid</metabolite_name><metabolite_name>9(Z),11(E)-Conjugated Linoleic Acid</metabolite_name><metabolite_name>Pg(Pgd2/I-12:0)</metabolite_name><metabolite_name>Dtdp</metabolite_name><metabolite_name>Dihydronicotinamide Formycin Dinucleotide</metabolite_name><metabolite_name>Methyl 2-Amino-3-Phenylpropanoate</metabolite_name><metabolite_name>D-Mannitol 1-Phosphate</metabolite_name><metabolite_name>Fahfa(16:0/13-O-16:0)</metabolite_name><metabolite_name>Lys Cys His</metabolite_name><metabolite_name>Cucurbitacin B</metabolite_name><metabolite_name>Mg(0:0/18:1(12Z)-O(9S,10R)/0:0)</metabolite_name><metabolite_name>Hebevinoside Ix</metabolite_name><metabolite_name>Withanolide B</metabolite_name><metabolite_name>Mannose 1-Phosphate</metabolite_name><metabolite_name>N-Myristoyl Arginine</metabolite_name><metabolite_name>6-Aminocaproic Acid</metabolite_name><metabolite_name>Glycerophosphocholine</metabolite_name><metabolite_name>Nonapropylene Glycol</metabolite_name><metabolite_name>Ps(16:1(9Z)/18:0)</metabolite_name><metabolite_name>Senegenin</metabolite_name><metabolite_name>Amikacin</metabolite_name><metabolite_name>Pc(6 Keto-Pgf1Alpha/2:0)</metabolite_name><metabolite_name>Mmdma</metabolite_name><metabolite_name>5-Methylcytidine</metabolite_name><metabolite_name>Trans-3-Indoleacrylic Acid</metabolite_name><metabolite_name>4-Piperidinone, 1-Hydroxy-2,2,6,6-Tetramethyl-</metabolite_name><metabolite_name>1-Monomyristin</metabolite_name><metabolite_name>Pro Leu</metabolite_name><metabolite_name>Serratol</metabolite_name><metabolite_name>Tributyl Citrate</metabolite_name><metabolite_name>Acetophenone</metabolite_name><metabolite_name>Ppg N11</metabolite_name><metabolite_name>Mg(18:1(9Z)/0:0/0:0)</metabolite_name><metabolite_name>N-Ethyl-N-Methylcathinone</metabolite_name><metabolite_name>Cyclo(D-Trp-D-Asp-Pro-D-Ile-Leu)</metabolite_name><metabolite_name>(+)-Threo-2-Amino-3,4-Dihydroxybutanoic Acid</metabolite_name><metabolite_name>Urea Citrate</metabolite_name><metabolite_name>Frangulanine</metabolite_name><metabolite_name>N,N-Dimethylacetamide</metabolite_name><metabolite_name>Glycyrrhetinic Acid</metabolite_name><metabolite_name>Echinocystic Acid</metabolite_name><metabolite_name>Stachyflin</metabolite_name><metabolite_name>Cystine-Glutamate</metabolite_name><metabolite_name>His Gln Ser</metabolite_name><metabolite_name>Octadeca-10,12-Dienoic Acid</metabolite_name><metabolite_name>Soyasapogenol B 3-O-[A-L-Rhamnosyl-(1->4)-B-D-Galactosyl-(1->4)-B-D-Glucuronide]</metabolite_name><metabolite_name>Ile Gly Leu</metabolite_name><metabolite_name>3-O-Beta-D-Glucosyl-Brassicasterol</metabolite_name><metabolite_name>Ginsenoside F3</metabolite_name><metabolite_name>Guanosine 5'-Monophosphate</metabolite_name><metabolite_name>S-Adenosylmethionine</metabolite_name><metabolite_name>9,10-Epoxy-18-Hydroxy-Octadecanoic Acid</metabolite_name><metabolite_name>N-[1-(2-Ethylphenyl)Sulfonylpiperidin-4-Yl]-2-Methoxy-N-(Oxan-4-Yl)Acetamide</metabolite_name><metabolite_name>4-Dodecenoylcarnitine</metabolite_name><metabolite_name>Gamma-Glutamylalanine</metabolite_name><metabolite_name>Mppa (Methyl Pyropheophorbide-A)</metabolite_name><metabolite_name>Glucose-Uridine-C1,5'-Diphosphate</metabolite_name><metabolite_name>5'-Deoxy-5'-Methylthioadenosine</metabolite_name><metabolite_name>Lys His Glu</metabolite_name><metabolite_name>Tyrosine Methylester</metabolite_name><metabolite_name>Terpestacin</metabolite_name><metabolite_name>Ps(15:0/16:0)</metabolite_name><metabolite_name>Beta-Citraurin</metabolite_name><metabolite_name>Hericene B</metabolite_name><metabolite_name>Dioctyl Phthalate</metabolite_name><metabolite_name>Pe(14:0/16:0)</metabolite_name><metabolite_name>[3-[3-(Oxolan-2-Yl)-1,2,4-Triazol-4-Yl]Azetidin-1-Yl]-Pyrimidin-4-Ylmethanone</metabolite_name><metabolite_name>Diethyl Phthalate</metabolite_name><metabolite_name>16-B1-Phytoprostane</metabolite_name><metabolite_name>Benzophenone</metabolite_name><metabolite_name>Polyoxyethylene 40 Monostearate</metabolite_name><metabolite_name>Dg(18:1(12Z)-O(9S,10R)/0:0/I-18:0)</metabolite_name><metabolite_name>N-Methyl-2-(4-Methylphenyl)Sulfonyl-2-Azaspiro[4.4]Nonane-4-Carboxamide</metabolite_name><metabolite_name>Indoline</metabolite_name><metabolite_name>(E)-Ethenoxyimino-Oxido-Pyrrolidin-1-Ylazanium</metabolite_name><metabolite_name>2-Phenylethyl Beta-D-Glucopyranoside</metabolite_name><metabolite_name>Abeado</metabolite_name><metabolite_name>Hovenidulcioside A2</metabolite_name><metabolite_name>Lopirazepam</metabolite_name><metabolite_name>Stachyose</metabolite_name><metabolite_name>Adenosine 3',5'-Diphosphate</metabolite_name><metabolite_name>9,12-Octadecadiynoic Acid</metabolite_name><metabolite_name>Pipecolic Acid</metabolite_name><metabolite_name>9-Hexadecenoic Acid</metabolite_name><metabolite_name>Sebacic Acid</metabolite_name><metabolite_name>N,N,N',N',N'',N''-Hexakis(Methoxymethyl)-1,3,5-Triazine-2,4,6-Triamine</metabolite_name><metabolite_name>Vitamin K1</metabolite_name><metabolite_name>Erucamide</metabolite_name><metabolite_name>Octaethyleneglycol Monododecyl Ether</metabolite_name><metabolite_name>Glutamate</metabolite_name><metabolite_name>Ursolic Acid</metabolite_name><metabolite_name>Quassin</metabolite_name><metabolite_name>17-Aminogeldanamycin</metabolite_name><metabolite_name>Carnitine</metabolite_name><metabolite_name>4,5-Diphenylimidazole</metabolite_name><metabolite_name>Austinoneol</metabolite_name><metabolite_name>Chenodeoxycholylarginine</metabolite_name><metabolite_name>Floionolic Acid</metabolite_name><metabolite_name>Corchorifatty Acid D</metabolite_name><metabolite_name>L-Lysine</metabolite_name><metabolite_name>Heptadecasphinganine</metabolite_name><metabolite_name>5'-Cmp</metabolite_name><metabolite_name>2-Aminobicyclo[2.2.1]Heptane-2-Carboxylic Acid</metabolite_name><metabolite_name>1,2-Ethanediol Monoricinoleate</metabolite_name><metabolite_name>(8R,9R,10S,13S,14S)-13-Methyl-1,4,5,6,7,8,9,10,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene</metabolite_name><metabolite_name>Arginyl-Prolyl-Proline</metabolite_name><metabolite_name>Ms-275</metabolite_name><metabolite_name>Butyl 4-[(2-Ethoxy-4-Oxo-6,7,8,9-Tetrahydroquinolizine-1-Carbonyl)Amino]Benzoate</metabolite_name><metabolite_name>1,3-Dicyclohexylurea</metabolite_name><metabolite_name>Hexadecanamide</metabolite_name><metabolite_name>N-Methyl-D-Aspartic Acid</metabolite_name><metabolite_name>L-Glyceraldehyde 3-Phosphate</metabolite_name><metabolite_name>16-Hydroxyhexadecanoic Acid</metabolite_name><metabolite_name>Raffinose</metabolite_name><metabolite_name>19-Norandrosterone</metabolite_name><metabolite_name>Digitoxigenin 3-[Glucosyl-(1->6)-Glucosyl-(1->4)-2,6-Dideoxyribohexoside]</metabolite_name><metabolite_name>Ternatin</metabolite_name><metabolite_name>Pe-Nme(14:1(9Z)/14:1(9Z))</metabolite_name><metabolite_name>Docosanedioic Acid</metabolite_name><metabolite_name>Ps(15:0/15:0)</metabolite_name><metabolite_name>Dioctyl Succinate</metabolite_name><metabolite_name>Cer(D18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3Oh(5,6,15))</metabolite_name><metabolite_name>1,2-Dioleoyl-Sn-Glycerol</metabolite_name><metabolite_name>7-Oxo-N-[3-(1-Propan-2-Ylpiperidin-4-Yl)Oxypropyl]Azepane-2-Carboxamide</metabolite_name><metabolite_name>Pg(I-13:0/20:4(8Z,11Z,14Z,17Z)-2Oh(5S,6R))</metabolite_name><metabolite_name>(Z)-11-Hexadecenal</metabolite_name><metabolite_name>D-Glucose 6-Phosphate</metabolite_name><metabolite_name>6-(Alpha-D-Glucosaminyl)-1D-Myo-Inositol</metabolite_name><metabolite_name>Deoxycholylarginine</metabolite_name><metabolite_name>Udp-4-Dehydro-6-Deoxy-D-Glucose</metabolite_name><metabolite_name>4-[1-[(3,4-Dimethoxyphenyl)Methyl]Pyrrolidin-3-Yl]-1-Methylsulfonylpiperidine</metabolite_name><metabolite_name>Nomilin</metabolite_name><metabolite_name>Tobramycin</metabolite_name><metabolite_name>Trichloroethanol Glucuronide</metabolite_name><metabolite_name>Pyrido(3,4-D)Pyridazine-1,4-Dione, 8-Amino-5-Chloro-2,3-Dihydro-7-Phenyl-</metabolite_name><metabolite_name>1-(2,4-Dimethylphenyl)-3-[(3-Morpholin-4-Yloxolan-3-Yl)Methyl]Urea</metabolite_name><metabolite_name>Fosbretabulin</metabolite_name></additional><is_claimable>false</is_claimable><name>RcrR: A Multifunctional Transcriptional Regulator Orchestrating the cariogenic virulence of Streptococcus mutans</name><description>&lt;p>We systematically investigated RcrR's contribution to cariogenic virulence using isogenic wild-type, DeltarcrR deletion mutant, and complemented strains. We assessed bacterial growth, biofilm architecture, acid tolerance, and H+-ATPase activity. To delineate the global regulatory network, we integrated untargeted metabolomics with data-independent acquisition (DIA)-based quantitative proteomics. Deletion of rcrR impaired bacterial growth, resulted in a structurally loose biofilm with significantly reduced water-insoluble extracellular polysaccharides (EPS) and extracellular DNA (eDNA), and markedly downregulated the transcription of glucosyltransferase genes gtfB, gtfC, and gtfD. Under acidic conditions (pH 5.5), the DeltarcrR mutant showed substantially reduced acidogenicity and aciduricity, accompanied by significantly diminished H+-ATPase activity. Multi-omics analyses revealed that rcrR deletion depleted critical glycolytic intermediates, most notably fructose-1,6-bisphosphate (FBP), and broadly suppressed the expression of proteins involved in carbohydrate metabolism, ABC transport systems, and quorum sensing pathways. Our findings demonstrate that RcrR functions as a central regulator coordinating energy metabolism, nutrient transport, and cell signaling to drive the full spectrum of S. mutans cariogenic virulence. This identifies RcrR as a promising molecular target for the development of novel preventive and therapeutic strategies against dental caries&lt;/p></description><dates><publication>2026-08-06</publication><submission>2026-08-06</submission></dates><accession>MTBLS15272</accession><cross_references><HMDB>HMDB0302049</HMDB><HMDB>HMDB0251076</HMDB><HMDB>HMDB0245419</HMDB><HMDB>HMDB0006556</HMDB><HMDB>HMDB0029144</HMDB><HMDB>HMDB0003459</HMDB><HMDB>HMDB0011738</HMDB><HMDB>HMDB0003255</HMDB><HMDB>HMDB0000034</HMDB><HMDB>HMDB0003974</HMDB><HMDB>HMDB0244605</HMDB><HMDB>HMDB0030121</HMDB><HMDB>HMDB0252344</HMDB><HMDB>HMDB0000193;PW_C000125</HMDB><HMDB>HMDB0259071</HMDB><HMDB>HMDB0301662</HMDB><HMDB>HMDB0060376</HMDB><HMDB>HMDB0011692</HMDB><HMDB>HMDB0001213</HMDB><HMDB>HMDB0003540</HMDB><HMDB>HMDB0242531</HMDB><HMDB>HMDB0060839</HMDB><HMDB>HMDB0002520</HMDB><HMDB>HMDB0059984</HMDB><HMDB>HMDB0249146</HMDB><HMDB>HMDB0000263;PW_C000180</HMDB><HMDB>HMDB0011688</HMDB><HMDB>HMDB0254108</HMDB><HMDB>HMDB0000217;HMDB0304435;HMDB0304435</HMDB><HMDB>HMDB0000286</HMDB><HMDB>HMDB0247869;PW_C001034</HMDB><HMDB>HMDB0000295;PW_C000201</HMDB><HMDB>HMDB0000902</HMDB><HMDB>HMDB0001328</HMDB><HMDB>HMDB0001520;PW_C001170</HMDB><HMDB>HMDB0000151</HMDB><HMDB>HMDB0030524</HMDB><HMDB>HMDB0033335</HMDB><HMDB>HMDB0030810</HMDB><HMDB>HMDB0031295</HMDB><HMDB>HMDB0014892</HMDB><HMDB>HMDB0015129</HMDB><HMDB>HMDB0278278</HMDB><HMDB>HMDB0279699</HMDB><HMDB>HMDB0039517</HMDB><HMDB>HMDB0244272</HMDB><HMDB>HMDB0012412</HMDB><HMDB>HMDB0244720</HMDB><HMDB>HMDB0244120</HMDB><HMDB>HMDB0036592</HMDB><HMDB>HMDB0254969</HMDB><HMDB>HMDB0010320</HMDB><HMDB>HMDB0061577</HMDB><HMDB>HMDB0015566</HMDB><HMDB>HMDB0034534</HMDB><HMDB>HMDB0011623</HMDB><HMDB>HMDB0035327</HMDB><HMDB>HMDB0041044</HMDB><HMDB>HMDB0014773</HMDB><HMDB>HMDB0248615</HMDB><HMDB>HMDB0010728</HMDB><HMDB>HMDB0014481</HMDB><HMDB>HMDB0250913</HMDB><HMDB>HMDB0002261;LMFA01050484</HMDB><HMDB>HMDB0030982</HMDB><HMDB>HMDB0249127</HMDB><HMDB>HMDB0010610</HMDB><HMDB>HMDB0254791</HMDB><HMDB>HMDB0256707</HMDB><HMDB>HMDB0001886</HMDB><HMDB>HMDB0258017</HMDB><HMDB>HMDB0263609</HMDB><HMDB>HMDB0270585</HMDB><HMDB>HMDB0060754</HMDB><HMDB>HMDB0009465</HMDB><HMDB>HMDB0004085</HMDB><HMDB>HMDB0265232</HMDB><HMDB>HMDB0112840</HMDB><HMDB>HMDB0275031</HMDB><HMDB>HMDB0250011</HMDB><HMDB>HMDB0031094</HMDB><HMDB>HMDB0304377</HMDB><HMDB>HMDB0267028</HMDB><HMDB>HMDB0013472</HMDB><HMDB>HMDB0252606</HMDB><HMDB>HMDB0060574</HMDB><HMDB>HMDB0034120</HMDB><HMDB>HMDB0254457</HMDB><HMDB>HMDB0303981</HMDB><HMDB>HMDB0036692</HMDB><HMDB>HMDB0061925;HMDB0260088;LMPR0104050005</HMDB><HMDB>HMDB0254329</HMDB><HMDB>HMDB0301912</HMDB><HMDB>HMDB0255734</HMDB><HMDB>HMDB0034297;LMFA02000184</HMDB><HMDB>HMDB0248654</HMDB><HMDB>HMDB0094711</HMDB><HMDB>HMDB0039084</HMDB><HMDB>HMDB0249334</HMDB><HMDB>HMDB0259649</HMDB><HMDB>HMDB0263256</HMDB><HMDB>HMDB0000903</HMDB><HMDB>HMDB0012110</HMDB><HMDB>HMDB0005972</HMDB><HMDB>HMDB0014376</HMDB><HMDB>HMDB0031665</HMDB><HMDB>HMDB0000623</HMDB><HMDB>HMDB0253821</HMDB><HMDB>HMDB0005048;LMFA01030125</HMDB><HMDB>HMDB0002226</HMDB><HMDB>HMDB0248075</HMDB><HMDB>HMDB0297339</HMDB><HMDB>HMDB0035976</HMDB><HMDB>HMDB0040668</HMDB><HMDB>HMDB0012502</HMDB><HMDB>HMDB0000220;LMFA01010001;PW_C000145</HMDB><HMDB>HMDB0271087</HMDB><HMDB>HMDB0116530</HMDB><HMDB>HMDB0262947</HMDB><HMDB>HMDB0257238</HMDB><HMDB>HMDB0061664</HMDB><HMDB>HMDB0265960</HMDB><HMDB>HMDB0277750</HMDB><HMDB>HMDB0041210</HMDB><HMDB>HMDB0271971</HMDB><HMDB>HMDB0032260</HMDB><HMDB>HMDB0033372</HMDB><HMDB>HMDB0299975</HMDB><HMDB>HMDB0267458</HMDB><HMDB>HMDB0009787</HMDB><HMDB>HMDB0251611</HMDB><HMDB>HMDB0009786</HMDB><HMDB>HMDB0009817</HMDB><HMDB>HMDB0002212;LMFA01010020</HMDB><HMDB>HMDB0010571</HMDB><HMDB>HMDB0240667</HMDB><HMDB>HMDB0041511</HMDB><HMDB>HMDB0014486</HMDB><HMDB>HMDB0011494</HMDB><HMDB>HMDB0258787</HMDB><HMDB>HMDB0288766</HMDB><HMDB>HMDB0257261</HMDB><HMDB>HMDB0000816</HMDB><HMDB>HMDB0252132</HMDB><HMDB>HMDB0060282</HMDB><HMDB>HMDB0014118</HMDB><HMDB>HMDB0251773</HMDB><HMDB>HMDB0060129</HMDB><HMDB>HMDB0259282</HMDB><HMDB>HMDB0272179</HMDB><HMDB>HMDB0241055</HMDB><HMDB>HMDB0248475</HMDB><HMDB>HMDB0009791</HMDB><HMDB>HMDB0250582</HMDB><HMDB>HMDB0265629</HMDB><HMDB>HMDB0278822</HMDB><HMDB>HMDB0009815</HMDB><HMDB>HMDB0258492</HMDB><HMDB>HMDB0056048</HMDB><HMDB>HMDB0288006</HMDB><HMDB>HMDB0009784</HMDB><HMDB>HMDB0272215</HMDB><HMDB>HMDB0009795</HMDB><HMDB>HMDB0014372</HMDB><HMDB>HMDB0255988</HMDB><HMDB>HMDB0033728</HMDB><HMDB>HMDB0000827</HMDB><HMDB>HMDB0029095</HMDB><HMDB>HMDB0266718</HMDB><HMDB>HMDB0007082</HMDB><HMDB>HMDB0031886</HMDB><HMDB>HMDB0112118</HMDB><HMDB>HMDB0256922</HMDB><HMDB>HMDB0015135</HMDB><HMDB>HMDB0242503</HMDB><HMDB>HMDB0062549</HMDB><HMDB>HMDB0000353</HMDB><HMDB>HMDB0251216</HMDB><HMDB>HMDB0302569</HMDB><HMDB>HMDB0014739</HMDB><HMDB>HMDB0004667</HMDB><HMDB>HMDB0256725</HMDB><HMDB>HMDB0029797</HMDB><HMDB>HMDB0040847</HMDB><HMDB>HMDB0037778</HMDB><HMDB>HMDB0260221</HMDB><HMDB>HMDB0002904</HMDB><HMDB>HMDB0247693</HMDB><HMDB>HMDB0030680</HMDB><HMDB>HMDB0242111</HMDB><HMDB>HMDB0060547</HMDB><HMDB>HMDB0243890</HMDB><HMDB>HMDB0240598</HMDB><HMDB>HMDB0001087</HM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MAPS>LMFA02000276</LIPID MAPS><LIPID MAPS>LMFA02000229</LIPID MAPS><LIPID MAPS>LMGP06010105</LIPID MAPS><LIPID MAPS>LMFA01050188</LIPID MAPS><LIPID MAPS>LMFA08010028</LIPID MAPS><LIPID MAPS>LMSP01040003</LIPID MAPS></cross_references></HashMap>