1.0 2016-09-30 23:26:15 UTC 2020-05-21 16:29:02 UTC BMDB0006806 BMDB06806 Propinol adenylate Propinol adenylate, also known as propinol adenylate, 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. Propinol adenylate is possibly soluble (in water) and a strong basic compound (based on its pKa). Propinol adenylate exists in all living organisms, ranging from bacteria to humans. Propinol adenylate participates in a number of enzymatic reactions, within cattle. In particular, Propinol adenylate can be converted into propionic acid; which is catalyzed by the enzyme acyl-CoA synthetase short-chain family member 3, mitochondrial. In addition, Propinol adenylate can be converted into propionic acid; which is mediated by the enzyme acetyl-coenzyme A synthetase 2-like, mitochondrial. In cattle, propinol adenylate is involved in the metabolic pathway called the propanoate metabolism pathway. 5'-Adenylic acid propanoic acid anhydride 5'-Adenylic acid propionic acid anhydride 5'-O-[Hydroxy(propionyloxy)phosphoryl]adenosine Propanoyl-adenosine monophosphate Propionyl-adenosine monophosphate Propionyl-AMP Propionyladenylate 5'-Adenylate propanoate anhydride 5'-Adenylate propionate anhydride Propanoyl-adenosine monophosphoric acid Propionyl-adenosine monophosphoric acid Propionyladenylic acid Propinol adenylic acid C13H18N5O8P 403.2845 403.089299089 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid propionyl-AMP CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1 ZGNGGJLVZZHLQM-ZRFIDHNTSA-N 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. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides 5'-acylphosphoadenosines 1,2-diols 6-aminopurines Acyl phosphates Amino acids and derivatives Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acid salts Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic salts Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Secondary alcohols Tetrahydrofurans 1,2-diol 5'-acylphosphoadenosine 6-aminopurine Acyl phosphate Alcohol Alkyl phosphate Amine Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxylic acid derivative Carboxylic acid salt Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary amine Purine Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds purine ribonucleoside 5'-monophosphate Solid logp -1.97 ALOGPS logs -2.13 ALOGPS logp -4 ChemAxon pka_strongest_acidic 0.83 ChemAxon pka_strongest_basic 4.99 ChemAxon iupac {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid ChemAxon average_mass 403.2845 ChemAxon mono_mass 403.089299089 ChemAxon smiles CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N ChemAxon formula C13H18N5O8P ChemAxon inchi InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1 ChemAxon inchikey ZGNGGJLVZZHLQM-ZRFIDHNTSA-N ChemAxon polar_surface_area 192.14 ChemAxon refractivity 87.85 ChemAxon polarizability 35.81 ChemAxon rotatable_bond_count 7 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 Propanoate Metabolism SMP0087248 Specdb::CMs 26130 Specdb::CMs 39096 Specdb::CMs 133204 Specdb::CMs 140938 Specdb::MsMs 323902 Specdb::MsMs 323903 Specdb::MsMs 323904 Specdb::MsMs 372181 Specdb::MsMs 372182 Specdb::MsMs 372183 Specdb::MsMs 2416729 Specdb::MsMs 2416730 Specdb::MsMs 2416731 Specdb::MsMs 2548996 Specdb::MsMs 2548997 Specdb::MsMs 2548998 Specdb::NmrOneD 91632 Specdb::NmrOneD 91633 Specdb::NmrOneD 91634 Specdb::NmrOneD 91635 Specdb::NmrOneD 91636 Specdb::NmrOneD 91637 Specdb::NmrOneD 91638 Specdb::NmrOneD 91639 Specdb::NmrOneD 91640 Specdb::NmrOneD 91641 Specdb::NmrOneD 91642 Specdb::NmrOneD 91643 Specdb::NmrOneD 91644 Specdb::NmrOneD 91645 Specdb::NmrOneD 91646 Specdb::NmrOneD 91647 Specdb::NmrOneD 91648 Specdb::NmrOneD 91649 Specdb::NmrOneD 91650 Specdb::NmrOneD 91651 FDB024092 389700 440863 C05983 62415 BMDBP00367 Acyl-CoA synthetase short-chain family member 3, mitochondrial A7MB45 ACSS3 Enzyme BMDBP02978 Acetyl-coenzyme A synthetase Q9BEA3 AceCS2 Enzyme