1.02011-09-21 00:18:04 UTC2015-07-21 06:57:19 UTCFDB0226933-Methylguanine3-Methylguanine is a methylated purine base. Methylated purine bases are known to be present in normal urine and to change under pathological conditions, in particular in the development of leukemia, tumors and immunodeficiency, by the altered turnover of nucleic acids typical of these diseases. (PMID 9069642) [HMDB]3-Methyl-guanine3-methyl-Guanine (VAN) (8CI)3-Methylguanine7-dihydro-3-methyl-2-amino-3-6H-Purin-6-one7-dihydro-3-methyl-2-amino-3-6H-Purin-6-one (9CI)N(3)-MethylguanineN3-MethylguanineC6H7N5O165.1527165.0650598712-amino-3-methyl-6,7-dihydro-3H-purin-6-oneN(3)-methylguanine2958-98-7CN1C2=C(NC=N2)C(=O)N=C1NInChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)XHBSBNYEHDQRCP-UHFFFAOYSA-N belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.Purines and purine derivativesOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivativesAromatic heteropolycyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesHydroxypyrimidinesImidazolesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsAromatic heteropolycyclic compoundAzacycleAzoleHeteroaromatic compoundHydrocarbon derivativeHydroxypyrimidineImidazoleOrganic nitrogen compoundOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPurinePyrimidine3-methylguaninea small moleculeSolidlogp-0.90logs-1.37solubility7.05e+00 g/llogp-1.2pka_strongest_acidic9.01pka_strongest_basic1.45iupac2-amino-3-methyl-6,7-dihydro-3H-purin-6-oneaverage_mass165.1527mono_mass165.065059871smilesCN1C2=C(NC=N2)C(=O)N=C1NformulaC6H7N5OinchiInChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)inchikeyXHBSBNYEHDQRCP-UHFFFAOYSA-Npolar_surface_area87.37refractivity43.14polarizability15.33rotatable_bond_count0acceptor_count5donor_count2physiological_charge0formal_charge0Specdb::MsIr1341Specdb::MsIr1342Specdb::MsIr1343Specdb::CMs9807Specdb::CMs135620Specdb::CMs143354Specdb::NmrOneD102498Specdb::NmrOneD102499Specdb::NmrOneD102500Specdb::NmrOneD102501Specdb::NmrOneD102502Specdb::NmrOneD102503Specdb::NmrOneD102504Specdb::NmrOneD102505Specdb::NmrOneD102506Specdb::NmrOneD102507Specdb::NmrOneD102508Specdb::NmrOneD102509Specdb::NmrOneD102510Specdb::NmrOneD102511Specdb::NmrOneD102512Specdb::NmrOneD102513Specdb::NmrOneD102514Specdb::NmrOneD102515Specdb::NmrOneD102516Specdb::NmrOneD102517Specdb::MsMs287674Specdb::MsMs287675Specdb::MsMs287676Specdb::MsMs326569Specdb::MsMs326570Specdb::MsMs326571Specdb::MsMs438114Specdb::MsMs438115Specdb::MsMs438116Specdb::MsMs438117Specdb::MsMs438118Specdb::MsMs446515Specdb::MsMs446516Specdb::MsMs446517Specdb::MsMs446518Specdb::MsMs446519Specdb::MsMs2387720Specdb::MsMs2387721Specdb::MsMs2387722Specdb::MsMs2578674Specdb::MsMs2578675Specdb::MsMs2578676HMDB01566#<Reference:0x0000555674483698>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823DNA-3-methyladenine glycosylaseP29372MPG