1.0 2016-09-30 23:27:08 UTC 2020-05-21 16:28:42 UTC BMDB0006880 BMDB06880 Acetyl adenylate Acetyl adenylate, also known as acetyl AMP, belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated. Acetyl adenylate is possibly soluble (in water) and a strong basic compound (based on its pKa). Acetyl adenylate exists in all living species, ranging from bacteria to humans. In cattle, acetyl adenylate is involved in the metabolic pathway called the pyruvate metabolism pathway. 5'-Acetylphosphoadenosine Acetyl adenylic acid 5'-O-[Acetoxy(hydroxy)phosphoryl]adenosine Acetyl AMP Acetyladenylate [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] acetate C12H16N5O8P 389.2579 389.073649025 (acetyloxy)({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid 5'-acetylphosphoadenosine 13015-87-7 CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 UBPVOHPZRZIJHM-WOUKDFQISA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentose phosphates C-glycosyl compounds Hemiacetals Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Oxacyclic compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate C-glycosyl compound Glycosyl compound Hemiacetal Hydrocarbon derivative Monoalkyl phosphate Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds D-tagatose 6-phosphate Solid logp -2.44 ALOGPS logs -2.11 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 0.84 ChemAxon pka_strongest_basic 4.99 ChemAxon iupac (acetyloxy)({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid ChemAxon average_mass 389.2579 ChemAxon mono_mass 389.073649025 ChemAxon smiles CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N ChemAxon formula C12H16N5O8P ChemAxon inchi InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 ChemAxon inchikey UBPVOHPZRZIJHM-WOUKDFQISA-N ChemAxon polar_surface_area 192.14 ChemAxon refractivity 83.22 ChemAxon polarizability 33.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pyruvate Metabolism SMP0087231 Specdb::CMs 23902 Specdb::CMs 39129 Specdb::CMs 162264 Specdb::NmrOneD 91952 Specdb::NmrOneD 91953 Specdb::NmrOneD 91954 Specdb::NmrOneD 91955 Specdb::NmrOneD 91956 Specdb::NmrOneD 91957 Specdb::NmrOneD 91958 Specdb::NmrOneD 91959 Specdb::NmrOneD 91960 Specdb::NmrOneD 91961 Specdb::NmrOneD 91962 Specdb::NmrOneD 91963 Specdb::NmrOneD 91964 Specdb::NmrOneD 91965 Specdb::NmrOneD 91966 Specdb::NmrOneD 91967 Specdb::NmrOneD 91968 Specdb::NmrOneD 91969 Specdb::NmrOneD 91970 Specdb::NmrOneD 91971 Specdb::MsMs 182883 Specdb::MsMs 182884 Specdb::MsMs 182885 Specdb::MsMs 183231 Specdb::MsMs 183232 Specdb::MsMs 183233 Specdb::MsMs 2383763 Specdb::MsMs 2383764 Specdb::MsMs 2383765 Specdb::MsMs 2581419 Specdb::MsMs 2581420 Specdb::MsMs 2581421 FDB024132 389703 C05993 440867 37666 ACETYL_AMP BMDBP02881 ACSS2 protein A7YWF1 ACSS2 Enzyme