1.0 2011-09-21 01:31:41 UTC 2015-07-21 06:59:16 UTC FDB027900 Se-Adenosylselenomethionine Se-Adenosylselenomethionine is an intermediate in Selenoamino acid metabolism. Se-Adenosylselenomethionine is converted from Selenomethionine via the enzyme S-adenosylmethionine synthetase (EC 2.5.1.6). It is then converted to Se-Adenosylselenohomocysteine via the enzyme Transferases (EC 2.1.1.-). [HMDB] C15H23N6O5Se 446.34 447.089514704 (3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium se-adenosylselenomethionine C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1 GGJFWMOVUFBSIN-YDBXVIPQSA-O belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. 5'-deoxyribonucleosides Organic compounds Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides Aromatic heteropolycyclic compounds 1,2-diols 6-aminopurines Alpha amino acids Amino acids Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkylamines Monocarboxylic acids and derivatives N-substituted imidazoles Organic cations Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Secondary alcohols Selenoethers Tetrahydrofurans 1,2-diol 5'-deoxyribonucleoside 6-aminopurine Alcohol Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monocarboxylic acid or derivatives Monosaccharide N-glycosyl compound N-substituted imidazole Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organoselenium compound Oxacycle Pentose monosaccharide Primary aliphatic amine Primary amine Purine Pyrimidine Secondary alcohol Selenoether Tetrahydrofuran Solid logp -1.93 ALOGPS logs -2.43 ALOGPS solubility 1.79e+00 g/l ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 1.6 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac (3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium ChemAxon average_mass 446.34 ChemAxon mono_mass 447.089514704 ChemAxon smiles C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N ChemAxon formula C15H23N6O5Se ChemAxon inchi InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1 ChemAxon inchikey GGJFWMOVUFBSIN-YDBXVIPQSA-O ChemAxon polar_surface_area 182.63 ChemAxon refractivity 103.59 ChemAxon polarizability 39.61 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Selenoamino Acid Metabolism SMP00029 map00450 Specdb::MsMs 307999 Specdb::MsMs 308000 Specdb::MsMs 308001 Specdb::MsMs 2940755 Specdb::MsMs 2940756 Specdb::MsMs 2940757 Specdb::CMs 18904 Specdb::CMs 39551 Specdb::CMs 173202 Specdb::NmrOneD 11282 Specdb::NmrOneD 11283 Specdb::NmrOneD 11284 Specdb::NmrOneD 11285 Specdb::NmrOneD 11286 Specdb::NmrOneD 11287 Specdb::NmrOneD 11288 Specdb::NmrOneD 11289 Specdb::NmrOneD 11290 Specdb::NmrOneD 11291 Specdb::NmrOneD 11292 Specdb::NmrOneD 11293 Specdb::NmrOneD 11294 Specdb::NmrOneD 11295 Specdb::NmrOneD 11296 Specdb::NmrOneD 11297 Specdb::NmrOneD 11298 Specdb::NmrOneD 11299 Specdb::NmrOneD 11300 Specdb::NmrOneD 11301 HMDB11118 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 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