1.0 2011-09-21 00:21:13 UTC 2015-07-21 06:57:24 UTC FDB022892 L-Threo-3-phenylserine Incorporated into the benzoyl moiety of urinary hippuric acid [HMDB] L-threo-3-Phenylserine L-threo-b-Phenylserine L-threo-beta-Phenylserine threo-b-Hydroxy-L-phenylalanine threo-beta-Hydroxy-L-phenylalanine C9H11NO3 181.1885 181.073893223 (2S)-2-amino-3-hydroxy-3-phenylpropanoic acid 3-phenyl-L-serine 6254-48-4 N[C@@H](C(O)C1=CC=CC=C1)C(O)=O InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8?/m0/s1 VHVGNTVUSQUXPS-JAMMHHFISA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Phenylalanine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Amino acids Aralkylamines Aromatic alcohols Benzene and substituted derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenylpropanoic acids Secondary alcohols 3-phenylpropanoic-acid Alcohol Alpha-amino acid Amine Amino acid Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Hydrocarbon derivative Hydroxy acid L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary alcohol Solid logp -1.75 ALOGPS logs -1.21 ALOGPS solubility 1.11e+01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 2.16 ChemAxon pka_strongest_basic 8.88 ChemAxon iupac (2S)-2-amino-3-hydroxy-3-phenylpropanoic acid ChemAxon average_mass 181.1885 ChemAxon mono_mass 181.073893223 ChemAxon smiles N[C@@H](C(O)C1=CC=CC=C1)C(O)=O ChemAxon formula C9H11NO3 ChemAxon inchi InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8?/m0/s1 ChemAxon inchikey VHVGNTVUSQUXPS-JAMMHHFISA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 46.32 ChemAxon polarizability 17.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17993 Specdb::CMs 38303 Specdb::CMs 136202 Specdb::CMs 143936 Specdb::NmrOneD 10202 Specdb::NmrOneD 10203 Specdb::NmrOneD 10204 Specdb::NmrOneD 10205 Specdb::NmrOneD 10206 Specdb::NmrOneD 10207 Specdb::NmrOneD 10208 Specdb::NmrOneD 10209 Specdb::NmrOneD 10210 Specdb::NmrOneD 10211 Specdb::NmrOneD 10212 Specdb::NmrOneD 10213 Specdb::NmrOneD 10214 Specdb::NmrOneD 10215 Specdb::NmrOneD 10216 Specdb::NmrOneD 10217 Specdb::NmrOneD 10218 Specdb::NmrOneD 10219 Specdb::NmrOneD 10220 Specdb::NmrOneD 10221 Specdb::MsMs 305863 Specdb::MsMs 305864 Specdb::MsMs 305865 Specdb::MsMs 349360 Specdb::MsMs 349361 Specdb::MsMs 349362 Specdb::MsMs 2290845 Specdb::MsMs 2290846 Specdb::MsMs 2290847 Specdb::MsMs 2644710 Specdb::MsMs 2644711 Specdb::MsMs 2644712 HMDB02184 #<Reference:0x000055ce322e5490> 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