1.0 2011-09-21 01:32:15 UTC 2015-07-21 06:59:17 UTC FDB027938 L-beta-Aspartyl-L-glutamic acid A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] b-Asp-Glu beta-Asp-Glu beta-Aspartylglutamate C9H14N2O7 262.2167 262.080100812 2-(3-amino-3-carboxypropanamido)pentanedioic acid 2-(3-amino-3-carboxypropanamido)pentanedioic acid NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18) DBMVITQDGVMXEY-UHFFFAOYSA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Hybrid peptides Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Aliphatic acyclic compounds Alpha amino acids Amino acids Asparagine and derivatives Carbonyl compounds Carboxylic acids Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Asparagine or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Glutamic acid or derivatives Hybrid peptide Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tricarboxylic acid or derivatives Solid logp -3.26 ALOGPS logs -1.47 ALOGPS solubility 8.98e+00 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 1.59 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(3-amino-3-carboxypropanamido)pentanedioic acid ChemAxon average_mass 262.2167 ChemAxon mono_mass 262.080100812 ChemAxon smiles NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O ChemAxon formula C9H14N2O7 ChemAxon inchi InChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18) ChemAxon inchikey DBMVITQDGVMXEY-UHFFFAOYSA-N ChemAxon polar_surface_area 167.02 ChemAxon refractivity 54.62 ChemAxon polarizability 23.64 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22827 Specdb::CMs 39574 Specdb::CMs 146495 Specdb::MsMs 13169 Specdb::MsMs 13170 Specdb::MsMs 13171 Specdb::MsMs 19841 Specdb::MsMs 19842 Specdb::MsMs 19843 Specdb::MsMs 2715304 Specdb::MsMs 2715305 Specdb::MsMs 2715306 Specdb::MsMs 2966193 Specdb::MsMs 2966194 Specdb::MsMs 2966195 Specdb::NmrOneD 92952 Specdb::NmrOneD 92953 Specdb::NmrOneD 92954 Specdb::NmrOneD 92955 Specdb::NmrOneD 92956 Specdb::NmrOneD 92957 Specdb::NmrOneD 92958 Specdb::NmrOneD 92959 Specdb::NmrOneD 92960 Specdb::NmrOneD 92961 Specdb::NmrOneD 92962 Specdb::NmrOneD 92963 Specdb::NmrOneD 92964 Specdb::NmrOneD 92965 Specdb::NmrOneD 92966 Specdb::NmrOneD 92967 Specdb::NmrOneD 92968 Specdb::NmrOneD 92969 Specdb::NmrOneD 92970 Specdb::NmrOneD 92971 HMDB11164 #<Reference:0x000055ce31f91ca8> 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