1.0 2011-09-21 01:32:19 UTC 2015-07-21 06:59:17 UTC FDB027943 L-beta-Aspartyl-L-threonine A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] b-Asp-Thr beta-Asp-Thr beta-Aspartylthreonine C8H14N2O6 234.2066 234.08518619 2-(3-amino-3-carboxypropanamido)-3-hydroxybutanoic acid 2-(3-amino-3-carboxypropanamido)-3-hydroxybutanoic acid CC(O)C(NC(=O)CC(N)C(O)=O)C(O)=O InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-5(12)2-4(9)7(13)14/h3-4,6,11H,2,9H2,1H3,(H,10,12)(H,13,14)(H,15,16) XPMVVZFGFJOFSL-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Asparagine or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative Hydroxy acid 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 alcohol Secondary carboxylic acid amide Short-chain hydroxy acid Solid logp -3.42 ALOGPS logs -0.98 ALOGPS solubility 2.44e+01 g/l ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.79 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(3-amino-3-carboxypropanamido)-3-hydroxybutanoic acid ChemAxon average_mass 234.2066 ChemAxon mono_mass 234.08518619 ChemAxon smiles CC(O)C(NC(=O)CC(N)C(O)=O)C(O)=O ChemAxon formula C8H14N2O6 ChemAxon inchi InChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-5(12)2-4(9)7(13)14/h3-4,6,11H,2,9H2,1H3,(H,10,12)(H,13,14)(H,15,16) ChemAxon inchikey XPMVVZFGFJOFSL-UHFFFAOYSA-N ChemAxon polar_surface_area 149.95 ChemAxon refractivity 49.79 ChemAxon polarizability 21.39 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17216 Specdb::CMs 39579 Specdb::CMs 155784 Specdb::NmrOneD 93052 Specdb::NmrOneD 93053 Specdb::NmrOneD 93054 Specdb::NmrOneD 93055 Specdb::NmrOneD 93056 Specdb::NmrOneD 93057 Specdb::NmrOneD 93058 Specdb::NmrOneD 93059 Specdb::NmrOneD 93060 Specdb::NmrOneD 93061 Specdb::NmrOneD 93062 Specdb::NmrOneD 93063 Specdb::NmrOneD 93064 Specdb::NmrOneD 93065 Specdb::NmrOneD 93066 Specdb::NmrOneD 93067 Specdb::NmrOneD 93068 Specdb::NmrOneD 93069 Specdb::NmrOneD 93070 Specdb::NmrOneD 93071 Specdb::MsMs 304084 Specdb::MsMs 304085 Specdb::MsMs 304086 Specdb::MsMs 347197 Specdb::MsMs 347198 Specdb::MsMs 347199 Specdb::MsMs 2681649 Specdb::MsMs 2681650 Specdb::MsMs 2681651 Specdb::MsMs 3026550 Specdb::MsMs 3026551 Specdb::MsMs 3026552 HMDB11169 #<Reference:0x000055ce32211050> 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