1.0 2011-09-21 01:54:06 UTC 2017-04-03 05:02:20 UTC FDB029330 6-Succinoaminopurine 6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed. [HMDB] Adenylsuccinic acid Succinoadenin Succinoadenine C9H9N5O3 235.1995 235.070539179 3-[(7H-purin-6-yl)carbamoyl]propanoic acid 3-[(7H-purin-6-yl)carbamoyl]propanoic acid 19046-78-7 OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1 InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15) PQBHLXAMWLYHTB-UHFFFAOYSA-N belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Purines and purine derivatives Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Monocarboxylic acids and derivatives N-arylamides Organic oxides Organopnictogen compounds Pyrimidines and pyrimidine derivatives Secondary carboxylic acid amides Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Monocarboxylic acid or derivatives N-arylamide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Purine Pyrimidine Secondary carboxylic acid amide Solid logp -0.95 ALOGPS logs -2.61 ALOGPS solubility 5.73e-01 g/l ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 3.77 ChemAxon pka_strongest_basic 2.08 ChemAxon iupac 3-[(7H-purin-6-yl)carbamoyl]propanoic acid ChemAxon average_mass 235.1995 ChemAxon mono_mass 235.070539179 ChemAxon smiles OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1 ChemAxon formula C9H9N5O3 ChemAxon inchi InChI=1S/C9H9N5O3/c15-5(1-2-6(16)17)14-9-7-8(11-3-10-7)12-4-13-9/h3-4H,1-2H2,(H,16,17)(H2,10,11,12,13,14,15) ChemAxon inchikey PQBHLXAMWLYHTB-UHFFFAOYSA-N ChemAxon polar_surface_area 120.86 ChemAxon refractivity 59.28 ChemAxon polarizability 21.65 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15276 Specdb::CMs 40083 Specdb::CMs 153718 Specdb::MsMs 299887 Specdb::MsMs 299888 Specdb::MsMs 299889 Specdb::MsMs 342022 Specdb::MsMs 342023 Specdb::MsMs 342024 Specdb::MsMs 2821515 Specdb::MsMs 2821516 Specdb::MsMs 2821517 Specdb::MsMs 2857626 Specdb::MsMs 2857627 Specdb::MsMs 2857628 Specdb::NmrOneD 99178 Specdb::NmrOneD 99179 Specdb::NmrOneD 99180 Specdb::NmrOneD 99181 Specdb::NmrOneD 99182 Specdb::NmrOneD 99183 Specdb::NmrOneD 99184 Specdb::NmrOneD 99185 Specdb::NmrOneD 99186 Specdb::NmrOneD 99187 Specdb::NmrOneD 99188 Specdb::NmrOneD 99189 Specdb::NmrOneD 99190 Specdb::NmrOneD 99191 Specdb::NmrOneD 99192 Specdb::NmrOneD 99193 Specdb::NmrOneD 99194 Specdb::NmrOneD 99195 Specdb::NmrOneD 99196 Specdb::NmrOneD 99197 HMDB13204