1.0 2016-09-30 22:47:17 UTC 2020-05-11 20:19:50 UTC BMDB0001532 BMDB01532 dATP 2'-Deoxyadenosine 5'-triphosphate Deoxyadenosine 5'-triphosphate 2'-Deoxyadenosine 5'-triphosphoric acid Deoxyadenosine 5'-triphosphoric acid Deoxyadenosine triphosphoric acid 2'-Deoxy-5'-ATP 2'-Deoxy-ATP 2'-Deoxyadenosine triphosphate dATP Deoxy-ATP Deoxyadenosine-triphosphate 2'-Deoxyadenosine triphosphate, 14C-labeled 2'-Deoxyadenosine triphosphate, monomagnesium salt 2'-Deoxyadenosine triphosphate, trisodium salt 2'-Deoxyadenosine triphosphate, p'-(32)p-labeled dATP CPD C10H16N5O12P3 491.1816 491.000830537 ({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid dATP 1927-31-7 NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 SUYVUBYJARFZHO-RRKCRQDMSA-N belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine deoxyribonucleotides Purine 2'-deoxyribonucleoside triphosphates 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Primary amines Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Primary amine Purine Purine 2'-deoxyribonucleoside triphosphate Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds 2'-deoxyadenosine 5'-phosphate Deoxyribonucleotides purine 2'-deoxyribonucleoside 5'-triphosphate Solid logp -0.66 ALOGPS logs -2.11 ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 0.9 ChemAxon pka_strongest_basic 4.03 ChemAxon iupac ({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon average_mass 491.1816 ChemAxon mono_mass 491.000830537 ChemAxon smiles NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 ChemAxon formula C10H16N5O12P3 ChemAxon inchi InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 ChemAxon inchikey SUYVUBYJARFZHO-RRKCRQDMSA-N ChemAxon polar_surface_area 258.9 ChemAxon refractivity 94.3 ChemAxon polarizability 38.06 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Purine Metabolism SMP0087239 Specdb::CMs 19054 Specdb::CMs 38109 Specdb::CMs 173053 Specdb::NmrTwoD 1665 Specdb::MsMs 1628 Specdb::MsMs 1629 Specdb::MsMs 1630 Specdb::MsMs 179151 Specdb::MsMs 179152 Specdb::MsMs 179153 Specdb::MsMs 181476 Specdb::MsMs 181477 Specdb::MsMs 181478 Specdb::MsMs 2240717 Specdb::MsMs 2242747 Specdb::MsMs 2243080 Specdb::MsMs 3035690 Specdb::MsMs 3035691 Specdb::MsMs 3035692 Specdb::MsMs 3103793 Specdb::MsMs 3103794 Specdb::MsMs 3103795 Specdb::NmrOneD 1724 Specdb::NmrOneD 148080 Specdb::NmrOneD 148081 Specdb::NmrOneD 148082 Specdb::NmrOneD 148083 Specdb::NmrOneD 148084 Specdb::NmrOneD 148085 Specdb::NmrOneD 148086 Specdb::NmrOneD 148087 Specdb::NmrOneD 148088 Specdb::NmrOneD 148089 Specdb::NmrOneD 148090 Specdb::NmrOneD 148091 Specdb::NmrOneD 148092 Specdb::NmrOneD 148093 Specdb::NmrOneD 148094 Specdb::NmrOneD 148095 Specdb::NmrOneD 148096 Specdb::NmrOneD 148097 Specdb::NmrOneD 148098 Specdb::NmrOneD 148099 Erythrocyte 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 Leukocyte 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 C00131 FDB022674 DB03222 15194 15993 16284 DATP 33969 Deoxyadenosine triphosphate 6303 Munch-Petersen, Agnete. Formation in vitro of deoxyadenosine triphosphate from deoxyadenosine in Ehrlich ascites cells. Biochemical and Biophysical Research Communications (1960), 3 392-6.