1.0 2016-10-03 18:22:33 UTC 2020-05-05 18:38:30 UTC BMDB0011667 BMDB11667 5-L-Glutamylglycine 5-L-Glutamylglycine gamma-L-Glu-gly L-gamma-Glu-gly N-L-gamma-Glutamylglycine g-L-Glu-gly Γ-L-glu-gly L-g-Glu-gly L-Γ-glu-gly N-L-g-Glutamylglycine N-L-Γ-glutamylglycine g-Glutamylglycine Γ-glutamylglycine γ-Glu-Gly γ-L-Glutamylglycine L-γ-Glutamylglycine N-γ-Glutamylglycine N-γ-L-Glutamylglycine gamma-Glu-Gly gamma-L-Glutamylglycine L-gamma-Glutamylglycine N-gamma-Glutamylglycine N-gamma-L-Glutamylglycine N-(Carboxymethyl)-glutamine L-N-(Carboxymethyl)-glutamine gamma-Glutamylglycine 5-L-Glutamyl-glycine gamma-Glutamyl glycine gamma-L-Glutamyl-glycine N-L-gamma-Glutamyl-glycine g-Glu-Gly C7H12N2O5 204.1806 204.074621504 (2S)-2-amino-4-[(carboxymethyl)carbamoyl]butanoic acid (2S)-2-amino-4-(carboxymethylcarbamoyl)butanoic acid 1948-29-4 N[C@@H](CCC(=O)NCC(O)=O)C(O)=O InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1 ACIJGUBIMXQCMF-BYPYZUCNSA-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 Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative L-alpha-amino 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 carboxylic acid amide Aliphatic acyclic compounds dipeptide Solid logp -3.47 ALOGPS logs -0.98 ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 1.83 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-[(carboxymethyl)carbamoyl]butanoic acid ChemAxon average_mass 204.1806 ChemAxon mono_mass 204.074621504 ChemAxon smiles N[C@@H](CCC(=O)NCC(O)=O)C(O)=O ChemAxon formula C7H12N2O5 ChemAxon inchi InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1 ChemAxon inchikey ACIJGUBIMXQCMF-BYPYZUCNSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 44.09 ChemAxon polarizability 18.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25772 Specdb::CMs 39753 Specdb::CMs 131475 Specdb::CMs 139209 Specdb::MsIr 2567 Specdb::MsIr 2568 Specdb::MsIr 2569 Specdb::NmrOneD 150870 Specdb::NmrOneD 150871 Specdb::NmrOneD 150872 Specdb::NmrOneD 150873 Specdb::NmrOneD 150874 Specdb::NmrOneD 150875 Specdb::NmrOneD 150876 Specdb::NmrOneD 150877 Specdb::NmrOneD 150878 Specdb::NmrOneD 150879 Specdb::NmrOneD 150880 Specdb::NmrOneD 150881 Specdb::NmrOneD 150882 Specdb::NmrOneD 150883 Specdb::NmrOneD 150884 Specdb::NmrOneD 150885 Specdb::NmrOneD 150886 Specdb::NmrOneD 150887 Specdb::NmrOneD 150888 Specdb::NmrOneD 150889 Specdb::MsMs 323116 Specdb::MsMs 323117 Specdb::MsMs 323118 Specdb::MsMs 371197 Specdb::MsMs 371198 Specdb::MsMs 371199 Specdb::MsMs 2304474 Specdb::MsMs 2304475 Specdb::MsMs 2304476 Specdb::MsMs 3061916 Specdb::MsMs 3061917 Specdb::MsMs 3061918 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 145071 FDB028356 165527 73845