1.0 2011-09-21 00:28:48 UTC 2015-07-21 06:57:39 UTC FDB023367 Imidazolone Imidazolone is one of the major advanced glycation end (AGE) products, that accumulate in neurons in different areas of human brain tissue localized especially in human pyramidal CA4 neurons in the hippocampus in an age-dependent manner.(PubMed ID 12406185 ) [HMDB] 4-Imidazolone C3H4N2O 84.0767 84.03236276 4,5-dihydro-1H-imidazol-5-one imidazol-4-one O=C1CN=CN1 InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6) CAAMSDWKXXPUJR-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Imidazolinones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 2-imidazoline Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Amidine Azacycle Carbonyl group Carboximidamide Carboxylic acid amidine Hydrocarbon derivative Imidazolinone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound imidazolinone Solid logp -1.95 ALOGPS logs -0.06 ALOGPS solubility 7.31e+01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 13.39 ChemAxon pka_strongest_basic 5.12 ChemAxon iupac 4,5-dihydro-1H-imidazol-5-one ChemAxon average_mass 84.0767 ChemAxon mono_mass 84.03236276 ChemAxon smiles O=C1CN=CN1 ChemAxon formula C3H4N2O ChemAxon inchi InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6) ChemAxon inchikey CAAMSDWKXXPUJR-UHFFFAOYSA-N ChemAxon polar_surface_area 41.46 ChemAxon refractivity 19.94 ChemAxon polarizability 7.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2205 Specdb::MsIr 2206 Specdb::MsIr 2207 Specdb::MsMs 316015 Specdb::MsMs 316016 Specdb::MsMs 316017 Specdb::MsMs 362158 Specdb::MsMs 362159 Specdb::MsMs 362160 Specdb::MsMs 2763943 Specdb::MsMs 2763944 Specdb::MsMs 2763945 Specdb::MsMs 2941076 Specdb::MsMs 2941077 Specdb::MsMs 2941078 Specdb::CMs 22512 Specdb::CMs 137025 Specdb::CMs 144759 Specdb::NmrOneD 48222 Specdb::NmrOneD 48223 Specdb::NmrOneD 48224 Specdb::NmrOneD 48225 Specdb::NmrOneD 48226 Specdb::NmrOneD 48227 Specdb::NmrOneD 48228 Specdb::NmrOneD 48229 Specdb::NmrOneD 48230 Specdb::NmrOneD 48231 Specdb::NmrOneD 48232 Specdb::NmrOneD 48233 Specdb::NmrOneD 48234 Specdb::NmrOneD 48235 Specdb::NmrOneD 48236 Specdb::NmrOneD 48237 Specdb::NmrOneD 48238 Specdb::NmrOneD 48239 Specdb::NmrOneD 48240 Specdb::NmrOneD 48241 HMDB04363 2083 #<Reference:0x000055ce321ed768> #<Reference:0x000055ce321ed5b0> #<Reference:0x000055ce321ed3f8> #<Reference:0x000055ce321ed240> #<Reference:0x000055ce321ed088> 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