1.0 2011-09-21 00:22:31 UTC 2015-07-21 06:57:27 UTC FDB022967 Aspartyl-L-proline High concentration of aspartyl-L-proline is found in the urine of patients with prolidase deficiency. Prolidase deficiency is an inborn error of metabolism which can cause mental retardation and severe skin ulcers in affected individuals. (Scriver's OMMBID; Wikipedia) [HMDB] 1-L-alpha-aspartyl-L-Proline Asp-pro Aspartylproline C9H14N2O5 230.2179 230.090271568 (2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid asp-pro 42155-95-3 N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1 UKGGPJNBONZZCM-WDSKDSINSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Monoalkylamines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Tertiary carboxylic acid amide Solid logp -3.30 ALOGPS logs -0.86 ALOGPS solubility 3.21e+01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 3.1 ChemAxon pka_strongest_basic 8.52 ChemAxon iupac (2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 230.2179 ChemAxon mono_mass 230.090271568 ChemAxon smiles N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C9H14N2O5 ChemAxon inchi InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1 ChemAxon inchikey UKGGPJNBONZZCM-WDSKDSINSA-N ChemAxon polar_surface_area 120.93 ChemAxon refractivity 51.52 ChemAxon polarizability 21.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12962 Specdb::CMs 38371 Specdb::CMs 132610 Specdb::CMs 140344 Specdb::MsMs 294484 Specdb::MsMs 294485 Specdb::MsMs 294486 Specdb::MsMs 335215 Specdb::MsMs 335216 Specdb::MsMs 335217 Specdb::MsMs 2739121 Specdb::MsMs 2739122 Specdb::MsMs 2739123 Specdb::MsMs 2970144 Specdb::MsMs 2970145 Specdb::MsMs 2970146 Specdb::NmrOneD 122278 Specdb::NmrOneD 122279 Specdb::NmrOneD 122280 Specdb::NmrOneD 122281 Specdb::NmrOneD 122282 Specdb::NmrOneD 122283 Specdb::NmrOneD 122284 Specdb::NmrOneD 122285 Specdb::NmrOneD 122286 Specdb::NmrOneD 122287 Specdb::NmrOneD 122288 Specdb::NmrOneD 122289 Specdb::NmrOneD 122290 Specdb::NmrOneD 122291 Specdb::NmrOneD 122292 Specdb::NmrOneD 122293 Specdb::NmrOneD 122294 Specdb::NmrOneD 122295 Specdb::NmrOneD 122296 Specdb::NmrOneD 122297 HMDB02335 #<Reference:0x000055ce319b0028> #<Reference:0x000055ce319afe20> 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