1.0 2011-09-21 00:14:52 UTC 2015-07-21 06:57:14 UTC FDB022493 Hydantoin-5-propionic acid A metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095) Folic acid non-dependent excessive formiminoglutamic aciduria (Figlu-uria) is an extremely rare disorder; treatment with oral folate supplements (15 mg/day) for 3 weeks failed to reduce urinary hydantoin-5-propionic acid (PMID: 8487495) [HMDB] Hydantoin-5-propionate Hydantoin-5-propionic acid Hydantoin-propionate Hydantoin-propionic acid C6H8N2O4 172.1387 172.048406754 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid hydantoin-5-propionic acid 5624-26-0 OC(=O)CCC1NC(=O)NC1=O InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12) VWFWNXQAMGDPGG-UHFFFAOYSA-N belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. Hydantoins Organic compounds Organoheterocyclic compounds Azolidines Imidazolidines Aliphatic heteromonocyclic compounds 5-monosubstituted hydantoins Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboximides Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl ureas Organic oxides Organonitrogen compounds Organopnictogen compounds 5-monosubstituted hydantoin Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonic acid derivative Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboximide Hydantoin Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl urea Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Ureide imidazolidine-2,4-dione monocarboxylic acid Solid logp -1.44 ALOGPS logs -1.36 ALOGPS solubility 7.45e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic -8.2 ChemAxon iupac 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid ChemAxon average_mass 172.1387 ChemAxon mono_mass 172.048406754 ChemAxon smiles OC(=O)CCC1NC(=O)NC1=O ChemAxon formula C6H8N2O4 ChemAxon inchi InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12) ChemAxon inchikey VWFWNXQAMGDPGG-UHFFFAOYSA-N ChemAxon polar_surface_area 95.5 ChemAxon refractivity 36.33 ChemAxon polarizability 15.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1133 Specdb::MsIr 1134 Specdb::MsIr 1135 Specdb::MsMs 316420 Specdb::MsMs 316421 Specdb::MsMs 316422 Specdb::MsMs 362680 Specdb::MsMs 362681 Specdb::MsMs 362682 Specdb::MsMs 2462020 Specdb::MsMs 2462021 Specdb::MsMs 2462022 Specdb::MsMs 2500046 Specdb::MsMs 2500047 Specdb::MsMs 2500048 Specdb::NmrOneD 87532 Specdb::NmrOneD 87533 Specdb::NmrOneD 87534 Specdb::NmrOneD 87535 Specdb::NmrOneD 87536 Specdb::NmrOneD 87537 Specdb::NmrOneD 87538 Specdb::NmrOneD 87539 Specdb::NmrOneD 87540 Specdb::NmrOneD 87541 Specdb::NmrOneD 87542 Specdb::NmrOneD 87543 Specdb::NmrOneD 87544 Specdb::NmrOneD 87545 Specdb::NmrOneD 87546 Specdb::NmrOneD 87547 Specdb::NmrOneD 87548 Specdb::NmrOneD 87549 Specdb::NmrOneD 87550 Specdb::NmrOneD 87551 Specdb::CMs 1593 Specdb::CMs 1666 Specdb::CMs 22703 Specdb::CMs 31292 Specdb::CMs 31293 Specdb::CMs 37977 Specdb::CMs 164280 HMDB01212 #<Reference:0x000055ce317c5628> #<Reference:0x000055ce317c53f8> 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