1.0 2016-09-30 22:42:06 UTC 2020-05-21 16:28:55 UTC BMDB0001178 BMDB01178 Adenosine diphosphate ribose Adenosine diphosphoric acid ribose (Rib5)ppa 5-(Adenosine 5'-pyrophosphoryl)-D-ribose a5'pp5RIb Adenosine 5'-diphosphoribose AdoPPRib ADP Ribose ADP-D-Ribose ADP-Rib ADP-Ribose ADPribose D-Ribofuranos-5-yl-ADP Ribose adenosine diphosphate [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphate Diphosphate ribose, adenosine 5'-Diphosphoribose, adenosine Adenosine diphosphoribose Diphosphoribose, adenosine Adenosine 5' diphosphoribose Ribose, ADP Ribose, adenosine diphosphate C15H23N5O14P2 559.3157 559.071673493 {[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl}oxy)phosphinic acid adp ribose 20762-30-5 NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1 InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18) SRNWOUGRCWSEMX-UHFFFAOYSA-N belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine nucleotide sugars Purine nucleotide sugars 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Polyols Primary amines Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Hemiacetal 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 pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary amine Purine Purine nucleotide sugar Purine ribonucleoside diphosphate Purine ribonucleoside monophosphate Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds Solid logp -1.80 ALOGPS logs -2.19 ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic 5 ChemAxon iupac {[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl}oxy)phosphinic acid ChemAxon average_mass 559.3157 ChemAxon mono_mass 559.071673493 ChemAxon smiles NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1 ChemAxon formula C15H23N5O14P2 ChemAxon inchi InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18) ChemAxon inchikey SRNWOUGRCWSEMX-UHFFFAOYSA-N ChemAxon polar_surface_area 291.52 ChemAxon refractivity 111.12 ChemAxon polarizability 46.75 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Glutamate Metabolism SMP0087169 Nicotinate and Nicotinamide Metabolism SMP0087241 Purine Metabolism SMP0087239 Specdb::CMs 19977 Specdb::CMs 37960 Specdb::CMs 281965 Specdb::CMs 342945 Specdb::CMs 342946 Specdb::CMs 342947 Specdb::CMs 342948 Specdb::CMs 342949 Specdb::CMs 342950 Specdb::CMs 342951 Specdb::CMs 342952 Specdb::CMs 342953 Specdb::CMs 342954 Specdb::CMs 342955 Specdb::CMs 342956 Specdb::CMs 342957 Specdb::CMs 342958 Specdb::CMs 342959 Specdb::CMs 342960 Specdb::CMs 342961 Specdb::CMs 342962 Specdb::CMs 342963 Specdb::CMs 342964 Specdb::CMs 342965 Specdb::CMs 342966 Specdb::MsMs 178470 Specdb::MsMs 178471 Specdb::MsMs 178472 Specdb::MsMs 180789 Specdb::MsMs 180790 Specdb::MsMs 180791 Specdb::MsMs 2775758 Specdb::MsMs 2775759 Specdb::MsMs 2775760 Specdb::MsMs 2906037 Specdb::MsMs 2906038 Specdb::MsMs 2906039 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 Prostate Tissue 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 FDB022468 187 192 16960 C00301 34547 Adenosine diphosphate ribose 6059 BMDBP00132 ADP-ribose glycohydrolase ARH3 Q3SYV9 ADPRS Enzyme BMDBP00133 Manganese-dependent ADP-ribose/CDP-alcohol diphosphatase A7YY53 ADPRM Enzyme BMDBP00134 [Protein ADP-ribosylarginine] hydrolase Q32KR8 ADPRH Enzyme BMDBP00135 Poly(ADP-ribose) glycohydrolase O02776 PARG Enzyme BMDBP00136 tRNA 2'-phosphotransferase 1 Q3ZBM7 TRPT1 Enzyme BMDBP00703 N-acetyl-D-glucosamine kinase Q3SZM9 NAGK Enzyme BMDBP01217 Glutamate-cysteine ligase catalytic subunit Q32S38 GCLC Enzyme BMDBP02852 Glutamate--cysteine ligase regulatory subunit Q2T9Y6 GCLM Enzyme BMDBP02936 Nudix hydrolase 5 F1MMR8 NUDT5 Enzyme BMDBP02943 Bone marrow stromal cell antigen 1 F1MLP3 BST1 Enzyme