1.0 2020-03-03 19:36:18 UTC 2020-05-11 20:43:03 UTC BMDB0064023 BMDB64023 Phenylalanylglycine F-G FG L-Phe-gly F-g Dipeptide FG Dipeptide L-Phenylalanylglycine N-L-Phenylalanylglycine N-Phenylalanylglycine Phe-gly Phenylalanine glycine dipeptide Phenylalanine-glycine dipeptide Phenylalanyl-glycine Phenylalanylglycine C11H14N2O3 222.244 222.100442319 2-[(2S)-2-amino-3-phenylpropanamido]acetic acid [(2S)-2-amino-3-phenylpropanamido]acetic acid 721-90-4 N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1 GLUBLISJVJFHQS-VIFPVBQESA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acid salts Carboxylic acids Fatty amides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic homomonocyclic compounds dipeptide logp -0.90 ALOGPS logs -2.45 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 3.71 ChemAxon pka_strongest_basic 8.01 ChemAxon iupac 2-[(2S)-2-amino-3-phenylpropanamido]acetic acid ChemAxon average_mass 222.244 ChemAxon mono_mass 222.100442319 ChemAxon smiles N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O ChemAxon formula C11H14N2O3 ChemAxon inchi InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1 ChemAxon inchikey GLUBLISJVJFHQS-VIFPVBQESA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 57.92 ChemAxon polarizability 22.76 ChemAxon rotatable_bond_count 5 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::MsMs 3053846 Specdb::MsMs 3053847 Specdb::MsMs 3053848 Specdb::MsMs 3116826 Specdb::MsMs 3116827 Specdb::MsMs 3116828 Specdb::CMs 133102 Specdb::CMs 140836 Specdb::NmrOneD 107018 Specdb::NmrOneD 107019 Specdb::NmrOneD 107020 Specdb::NmrOneD 107021 Specdb::NmrOneD 107022 Specdb::NmrOneD 107023 Specdb::NmrOneD 107024 Specdb::NmrOneD 107025 Specdb::NmrOneD 107026 Specdb::NmrOneD 107027 Specdb::NmrOneD 107028 Specdb::NmrOneD 107029 Specdb::NmrOneD 107030 Specdb::NmrOneD 107031 Specdb::NmrOneD 107032 Specdb::NmrOneD 107033 Specdb::NmrOneD 107034 Specdb::NmrOneD 107035 Specdb::NmrOneD 107036 Specdb::NmrOneD 107037 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB112015 5360444 6992303 73635