1.0 2020-05-06 19:44:08 UTC 2020-05-07 14:44:59 UTC BMDB0109728 gamma-Glutamyl-2-aminobutyrate g-Glutamyl-2-aminobutyrate g-Glutamyl-2-aminobutyric acid gamma-Glutamyl-2-aminobutyric acid Γ-glutamyl-2-aminobutyrate Γ-glutamyl-2-aminobutyric acid g-Glu-abu(1-) Γ-glu-abu(1-) gamma-Glutamyl-2-aminobutyrate C9H15N2O5 231.229 231.098645171 2-azaniumyl-4-[(1-carboxypropyl)carbamoyl]butanoate 2-ammonio-4-[(1-carboxypropyl)carbamoyl]butanoate CCC(NC(=O)CCC([NH3+])C([O-])=O)C([O-])=O InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1 FUZOZPRKGAXGOB-UHFFFAOYSA-M belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids and derivatives Alpha amino acids Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Organic anions Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative N-acyl-alpha amino acid or derivatives Organic anion Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds logp -1.18 ALOGPS logs -1.72 ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 2.02 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac 2-azaniumyl-4-[(1-carboxypropyl)carbamoyl]butanoate ChemAxon average_mass 231.229 ChemAxon mono_mass 231.098645171 ChemAxon smiles CCC(NC(=O)CCC([NH3+])C([O-])=O)C([O-])=O ChemAxon formula C9H15N2O5 ChemAxon inchi InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1 ChemAxon inchikey FUZOZPRKGAXGOB-UHFFFAOYSA-M ChemAxon polar_surface_area 137 ChemAxon refractivity 86.08 ChemAxon polarizability 22.19 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 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::NmrOneD 91352 Specdb::NmrOneD 91353 Specdb::NmrOneD 91354 Specdb::NmrOneD 91355 Specdb::NmrOneD 91356 Specdb::NmrOneD 91357 Specdb::NmrOneD 91358 Specdb::NmrOneD 91359 Specdb::NmrOneD 91360 Specdb::NmrOneD 91361 Specdb::NmrOneD 91362 Specdb::NmrOneD 91363 Specdb::NmrOneD 91364 Specdb::NmrOneD 91365 Specdb::NmrOneD 91366 Specdb::NmrOneD 91367 Specdb::NmrOneD 91368 Specdb::NmrOneD 91369 Specdb::NmrOneD 91370 Specdb::NmrOneD 91371 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 21232230 78437958 133093