1.0 2016-09-30 22:52:16 UTC 2020-04-22 15:10:04 UTC BMDB0002184 BMDB02184 L-Threo-3-Phenylserine L-threo-b-Phenylserine L-threo-beta-Phenylserine threo-b-Hydroxy-L-phenylalanine threo-beta-Hydroxy-L-phenylalanine beta-Phenylserine threo-beta-Phenylserine beta-Hydroxyphenylalanine, erythro-(DL)-isomer beta-Hydroxyphenylalanine, threo-(DL)-isomer beta-Hydroxyphenylalanine beta-Hydroxyphenylalanine, threo-(L)-isomer (2Rs,3Sr)-2-amino-3-Hydroxy-3-phenylpropanoic acid beta-Hydroxyphenylalanine, (DL)-isomer (2S)-2-Amino-3-hydroxy-3-phenylpropanoate 3-Phenylserine Phenylserine Threo-DL-phenyl-serine DL-3-Phenylserine 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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives 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 Aromatic homomonocyclic compounds Solid logp -1.75 ALOGPS logs -1.21 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 number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17993 Specdb::CMs 38303 Specdb::CMs 136202 Specdb::CMs 143936 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 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 13628311 FDB022892 12314153 6532 Bruns, Friedrich H.; Fiedler, Liselore. Enzymic cleavage and synthesis of L-threo-b-phenylserine and L-erythro-b-phenylserine. Biochemische Zeitschrift (1958), 330 324-41.