1.0 2016-09-30 23:07:25 UTC 2020-05-11 20:40:51 UTC BMDB0004044 BMDB04044 N6-Methyladenosine (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol 6-Methyladenosine 6-Methylaminopurine D-riboside 6-Methylaminopurine ribonucleoside 6-Methylaminopurine riboside 6-Methylaminopurinosine m6a N(6)-Monomethyladenosine 6-methylamino-9-beta-D-Ribofuranosyl-purine 6-methylamino-9-beta-delta-Ribofuranosyl-purine N(6)-Methyladenosine N-Methyladenosine N(6)MAdo N6-Methyladenosine C11H15N5O4 281.2679 281.112403993 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-9H-purin-9-yl]oxolane-3,4-diol N6-methyladenosine 1867-73-8 CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 VQAYFKKCNSOZKM-IOSLPCCCSA-N belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Secondary alcohols Secondary alkylarylamines Tetrahydrofurans 6-alkylaminopurine 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Purine Purine nucleoside Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Tetrahydrofuran Aromatic heteropolycyclic compounds methyladenosine Solid logp -0.64 ALOGPS logs -1.46 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 12.45 ChemAxon pka_strongest_basic 4.89 ChemAxon iupac (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-9H-purin-9-yl]oxolane-3,4-diol ChemAxon average_mass 281.2679 ChemAxon mono_mass 281.112403993 ChemAxon smiles CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ChemAxon formula C11H15N5O4 ChemAxon inchi InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 ChemAxon inchikey VQAYFKKCNSOZKM-IOSLPCCCSA-N ChemAxon polar_surface_area 125.55 ChemAxon refractivity 68.69 ChemAxon polarizability 27.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17796 Specdb::CMs 38693 Specdb::CMs 147296 Specdb::MsMs 305404 Specdb::MsMs 305405 Specdb::MsMs 305406 Specdb::MsMs 348811 Specdb::MsMs 348812 Specdb::MsMs 348813 Specdb::MsMs 2248846 Specdb::MsMs 2249523 Specdb::MsMs 2250847 Specdb::MsMs 2251574 Specdb::MsMs 2777957 Specdb::MsMs 2777958 Specdb::MsMs 2777959 Specdb::MsMs 2901444 Specdb::MsMs 2901445 Specdb::MsMs 2901446 Specdb::NmrOneD 10722 Specdb::NmrOneD 10723 Specdb::NmrOneD 10724 Specdb::NmrOneD 10725 Specdb::NmrOneD 10726 Specdb::NmrOneD 10727 Specdb::NmrOneD 10728 Specdb::NmrOneD 10729 Specdb::NmrOneD 10730 Specdb::NmrOneD 10731 Specdb::NmrOneD 10732 Specdb::NmrOneD 10733 Specdb::NmrOneD 10734 Specdb::NmrOneD 10735 Specdb::NmrOneD 10736 Specdb::NmrOneD 10737 Specdb::NmrOneD 10738 Specdb::NmrOneD 10739 Specdb::NmrOneD 10740 Specdb::NmrOneD 10741 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023288 92307 102175 21891 N6-Methyladenosine