1.0 2011-09-21 00:08:31 UTC 2025-11-19 02:40:50 UTC FDB022101 Adenylsuccinic acid Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4.3.2.2] in purine metabolism pathway. The accumulation of adenylsuccinic acid in body fluids occurs due to a deficiency of adenylosuccinase. (KEGG; PMID 8412002) [HMDB] 6-Succino-5'-adenylate 6-Succino-5'-adenylic acid adenyl-Succinic acid adenylosuccinate adenylosuccinic acid Adenylsuccinate Aspartyl adenylate D-Ribofuranosyl-9H-purin-6-yl) mono(dihydrogen ate) (ester) D-ribofuranosyl-9H-purin-6-yl) mono(dihydrogen phosphate) (ester) D-ribofuranosyl)-9H-purin-6-yl] N(6)-(1,2-dicarboxyethyl)-AMP N6-(1,2-Dicarboxyethyl)-AMP Succinyl AMP Succinyladenosine 5'-monoate Succinyladenosine 5'-monophosphate Succinyladenosine monoorate Succinyladenosine monooric acid Succinyladenosine monophosphorate Succinyladenosine monophosphoric acid C14H18N5O11P 463.2934 463.074042955 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid adenylosuccinate 19046-78-7 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1 OFBHPPMPBOJXRT-DPXQIYNJSA-N belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Purine ribonucleoside monophosphates Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Aromatic heteropolycyclic compounds 1,2-diols 6-alkylaminopurines Amino acids Aminopyrimidines and derivatives Aspartic acid and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Pentose phosphates Secondary alcohols Secondary alkylarylamines Tetrahydrofurans 1,2-diol 6-alkylaminopurine 6-aminopurine Alcohol Alkyl phosphate Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Aspartic acid or derivatives Azacycle Azole Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Glycosyl compound 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Purine Purine ribonucleoside monophosphate Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Tetrahydrofuran purine ribonucleoside 5'-monophosphate Solid logp -1.96 ALOGPS logs -2.29 ALOGPS solubility 2.38e+00 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.22 ChemAxon pka_strongest_basic 3.81 ChemAxon iupac 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid ChemAxon average_mass 463.2934 ChemAxon mono_mass 463.074042955 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O ChemAxon formula C14H18N5O11P ChemAxon inchi InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1 ChemAxon inchikey OFBHPPMPBOJXRT-DPXQIYNJSA-N ChemAxon polar_surface_area 246.68 ChemAxon refractivity 96.18 ChemAxon polarizability 39.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Aspartate Metabolism SMP00067 map00250 Purine Metabolism SMP00050 map00230 Specdb::CMs 20648 Specdb::CMs 37605 Specdb::NmrTwoD 1354 Specdb::NmrOneD 1410 Specdb::NmrOneD 287595 Specdb::NmrOneD 287596 Specdb::NmrOneD 287597 Specdb::NmrOneD 287598 Specdb::NmrOneD 287599 Specdb::NmrOneD 287600 Specdb::NmrOneD 287601 Specdb::NmrOneD 287602 Specdb::NmrOneD 287603 Specdb::NmrOneD 287604 Specdb::NmrOneD 287605 Specdb::NmrOneD 287606 Specdb::NmrOneD 287607 Specdb::NmrOneD 287608 Specdb::NmrOneD 287609 Specdb::NmrOneD 287610 Specdb::NmrOneD 287611 Specdb::NmrOneD 287612 Specdb::NmrOneD 287613 Specdb::NmrOneD 287614 Specdb::MsMs 758 Specdb::MsMs 759 Specdb::MsMs 760 Specdb::MsMs 180210 Specdb::MsMs 180211 Specdb::MsMs 180212 Specdb::MsMs 182544 Specdb::MsMs 182545 Specdb::MsMs 182546 HMDB00536 15919 #<Reference:0x000055ce325cc230> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Adenylosuccinate lyase P30566 ADSL