1.0 2011-04-08 19:14:15 UTC 2019-11-26 03:20:52 UTC FDB021791 1-Methyladenosine Modified nucleoside present in t-RNA's [DFC] Minor constituant of raw bovine milk N,6-Didehydro-1,6-dihydro-1-methyladenosine, 9CI N1-Methyladenosine C11H15N5O4 281.2679 281.112403993 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol 1-methyladenosine 15763-06-1 CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-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. Purine nucleosides Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Aromatic heteropolycyclic compounds Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Purines and purine derivatives Pyrimidines and pyrimidine derivatives Secondary alcohols Tetrahydrofurans Alcohol 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 Tetrahydrofuran methyladenosine Solid logp -1.83 ALOGPS logs -1.58 ALOGPS solubility 7.33e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 12.45 ChemAxon pka_strongest_basic 2.98 ChemAxon iupac (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol ChemAxon average_mass 281.2679 ChemAxon mono_mass 281.112403993 ChemAxon smiles CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N ChemAxon formula C11H15N5O4 ChemAxon inchi InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 ChemAxon inchikey GFYLSDSUCHVORB-IOSLPCCCSA-N ChemAxon polar_surface_area 127.19 ChemAxon refractivity 79.1 ChemAxon polarizability 27.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1884 Specdb::CMs 837 Specdb::CMs 26098 Specdb::CMs 30415 Specdb::CMs 32245 Specdb::CMs 32246 Specdb::CMs 38570 Specdb::CMs 166720 Specdb::NmrOneD 1950 Specdb::NmrOneD 149480 Specdb::NmrOneD 149481 Specdb::NmrOneD 149482 Specdb::NmrOneD 149483 Specdb::NmrOneD 149484 Specdb::NmrOneD 149485 Specdb::NmrOneD 149486 Specdb::NmrOneD 149487 Specdb::NmrOneD 149488 Specdb::NmrOneD 149489 Specdb::NmrOneD 149490 Specdb::NmrOneD 149491 Specdb::NmrOneD 149492 Specdb::NmrOneD 149493 Specdb::NmrOneD 149494 Specdb::NmrOneD 149495 Specdb::NmrOneD 149496 Specdb::NmrOneD 149497 Specdb::NmrOneD 149498 Specdb::NmrOneD 149499 Specdb::MsMs 2245 Specdb::MsMs 2246 Specdb::MsMs 2247 Specdb::MsMs 5896 Specdb::MsMs 5897 Specdb::MsMs 5898 Specdb::MsMs 5899 Specdb::MsMs 5900 Specdb::MsMs 5901 Specdb::MsMs 5902 Specdb::MsMs 323824 Specdb::MsMs 323825 Specdb::MsMs 323826 Specdb::MsMs 372079 Specdb::MsMs 372080 Specdb::MsMs 372081 Specdb::MsMs 439537 Specdb::MsMs 439538 Specdb::MsMs 439539 Specdb::MsMs 439540 Specdb::MsMs 439541 Specdb::MsMs 439542 Specdb::MsMs 446530 Specdb::MsMs 446531 Specdb::MsMs 446532 HMDB03331 #<Reference:0x000055ce30211458> #<Reference:0x000055ce302112a0> #<Reference:0x000055ce302110e8> #<Reference:0x000055ce30210f30> #<Reference:0x000055ce30210d78> #<Reference:0x000055ce30210bc0> #<Reference:0x000055ce30210a08> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.7 0.7 0.7 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823