1.0 2011-09-21 01:31:27 UTC 2015-07-21 06:59:16 UTC FDB027887 3-Phosphoadenylylselenate 3-Phosphoadenylylselenate participates in selenoamino acid metabolism. 3-phosphoadenylylselenate is converted from adenylylselenate via adenylylsulfate kinase (EC: 2.7.1.25). [HMDB] 3-Oadenylylselenate 3-Oadenylylselenic acid 3'-Oadenosine-5'-oselanate 3'-Oadenosine-5'-oselanic acid 3'-Oadenosine-5'-oselenate 3'-Oadenosine-5'-oselenic acid 3'-Oadenylylselenate 3'-Oadenylylselenic acid C10H15N5O13P2Se 554.16 554.930680443 [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]selenonic acid 3'-phosphoadenylylselenate NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1 AZRLZPIFEZUZLW-KQYNXXCUSA-N belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety. Purine ribonucleoside 3',5'-bisphosphates Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Aromatic heteropolycyclic compounds 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic selenates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Purine ribonucleoside monophosphates Ribonucleoside 3'-phosphates Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic selenate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary amine Purine Purine ribonucleoside 3',5'-bisphosphate Purine ribonucleoside monophosphate Pyrimidine Ribonucleoside 3'-phosphate Secondary alcohol Tetrahydrofuran adenosine bisphosphate organoselenium compound Solid logp -1.07 ALOGPS logs -2.28 ALOGPS solubility 2.91e+00 g/l ALOGPS logp -7 ChemAxon pka_strongest_acidic 0.8 ChemAxon pka_strongest_basic 4.94 ChemAxon iupac [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]selenonic acid ChemAxon average_mass 554.16 ChemAxon mono_mass 554.930680443 ChemAxon smiles NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 ChemAxon formula C10H15N5O13P2Se ChemAxon inchi InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1 ChemAxon inchikey AZRLZPIFEZUZLW-KQYNXXCUSA-N ChemAxon polar_surface_area 275.97 ChemAxon refractivity 102.29 ChemAxon polarizability 39.86 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Selenoamino Acid Metabolism SMP00029 map00450 Specdb::CMs 14865 Specdb::CMs 39545 Specdb::CMs 281810 Specdb::CMs 337711 Specdb::CMs 337712 Specdb::CMs 337713 Specdb::CMs 337714 Specdb::CMs 337715 Specdb::CMs 337716 Specdb::CMs 337717 Specdb::NmrOneD 150760 Specdb::NmrOneD 150761 Specdb::NmrOneD 150762 Specdb::NmrOneD 150763 Specdb::NmrOneD 150764 Specdb::NmrOneD 150765 Specdb::NmrOneD 150766 Specdb::NmrOneD 150767 Specdb::NmrOneD 150768 Specdb::NmrOneD 150769 Specdb::NmrOneD 150770 Specdb::NmrOneD 150771 Specdb::NmrOneD 150772 Specdb::NmrOneD 150773 Specdb::NmrOneD 150774 Specdb::NmrOneD 150775 Specdb::NmrOneD 150776 Specdb::NmrOneD 150777 Specdb::NmrOneD 150778 Specdb::NmrOneD 150779 Specdb::MsMs 27704 Specdb::MsMs 27705 Specdb::MsMs 27706 Specdb::MsMs 34262 Specdb::MsMs 34263 Specdb::MsMs 34264 Specdb::MsMs 2769878 Specdb::MsMs 2769879 Specdb::MsMs 2769880 Specdb::MsMs 2908449 Specdb::MsMs 2908450 Specdb::MsMs 2908451 HMDB11104 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 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 O43252 PAPSS1 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 O95340 PAPSS2