1.0 2011-09-21 01:32:14 UTC 2019-11-26 03:21:26 UTC FDB027937 L-beta-Aspartyl-L-aspartic acid A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] b-Asp-Asp beta-Asp-Asp beta-Aspartylaspartate C8H12N2O7 248.1901 248.064450748 2-(3-amino-3-carboxypropanamido)butanedioic acid 2-(3-amino-3-carboxypropanamido)butanedioic acid NC(CC(=O)NC(CC(O)=O)C(O)=O)C(O)=O InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17) KXAWLANLJYMEGB-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 Acyl homoserines Alpha amino acids Amino acids Asparagine and derivatives Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tricarboxylic acids and derivatives Acyl-homoserine Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Asparagine or derivatives Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide 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 -3.24 ALOGPS logs -1.40 ALOGPS solubility 9.87e+00 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.56 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(3-amino-3-carboxypropanamido)butanedioic acid ChemAxon average_mass 248.1901 ChemAxon mono_mass 248.064450748 ChemAxon smiles NC(CC(=O)NC(CC(O)=O)C(O)=O)C(O)=O ChemAxon formula C8H12N2O7 ChemAxon inchi InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17) ChemAxon inchikey KXAWLANLJYMEGB-UHFFFAOYSA-N ChemAxon polar_surface_area 167.02 ChemAxon refractivity 49.87 ChemAxon polarizability 21.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 92932 Specdb::NmrOneD 92933 Specdb::NmrOneD 92934 Specdb::NmrOneD 92935 Specdb::NmrOneD 92936 Specdb::NmrOneD 92937 Specdb::NmrOneD 92938 Specdb::NmrOneD 92939 Specdb::NmrOneD 92940 Specdb::NmrOneD 92941 Specdb::NmrOneD 92942 Specdb::NmrOneD 92943 Specdb::NmrOneD 92944 Specdb::NmrOneD 92945 Specdb::NmrOneD 92946 Specdb::NmrOneD 92947 Specdb::NmrOneD 92948 Specdb::NmrOneD 92949 Specdb::NmrOneD 92950 Specdb::NmrOneD 92951 Specdb::MsMs 308005 Specdb::MsMs 308006 Specdb::MsMs 308007 Specdb::MsMs 352084 Specdb::MsMs 352085 Specdb::MsMs 352086 Specdb::MsMs 2735501 Specdb::MsMs 2735502 Specdb::MsMs 2735503 Specdb::MsMs 2973063 Specdb::MsMs 2973064 Specdb::MsMs 2973065 Specdb::CMs 18909 Specdb::CMs 39573 Specdb::CMs 123479 Specdb::CMs 132573 Specdb::CMs 140307 Specdb::CMs 806749 Specdb::CMs 806750 Specdb::CMs 806751 Specdb::CMs 806752 Specdb::CMs 806753 Specdb::CMs 806754 Specdb::CMs 806755 Specdb::CMs 806756 Specdb::CMs 806757 Specdb::CMs 806758 Specdb::CMs 806759 Specdb::CMs 806760 Specdb::CMs 806761 Specdb::CMs 806762 Specdb::CMs 806763 Specdb::CMs 806764 Specdb::CMs 806765 Specdb::CMs 806766 Specdb::CMs 806767 Specdb::CMs 806768 HMDB11163 #<Reference:0x000055ce328657a8> 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 Milk (Cow) Type 2 specific 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