1.0 2016-10-03 18:23:51 UTC 2020-05-05 18:38:32 UTC BMDB0011741 BMDB11741 Gamma-Glutamyltyrosine g-Glutamyltyrosine Γ-glutamyltyrosine Γ-glu-tyr Γ-L-glu-L-tyr Γ-L-glutamyl-L-tyrosine L-Γ-glutamyl-L-tyrosine N-Γ-glutamyltyrosine N-L-Γ-glutamyltyrosine N-L-Γ-glutamyl-L-tyrosine gamma-Glu-tyr gamma-L-Glu-L-tyr gamma-L-Glutamyl-L-tyrosine L-gamma-Glutamyl-L-tyrosine N-gamma-Glutamyltyrosine N-L-gamma-Glutamyltyrosine N-L-gamma-Glutamyl-L-tyrosine gamma-Glutamyl-L-tyrosine N-Γ-L-glutamyl-L-tyrosine N-gamma-L-Glutamyl-L-tyrosine g-Glu-tyr gamma-Glutamyltyrosine C14H18N2O6 310.3025 310.116486318 (2S)-2-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid 7432-23-7 N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1 VVLXCWVSSLFQDS-QWRGUYRKSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine 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 Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoids Amino acids Amphetamines and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Propargyl-type 1,3-dipolar organic compounds 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative L-alpha-amino acid Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Tyrosine or derivatives Aromatic homomonocyclic compounds dipeptide Solid logp -2.30 ALOGPS logs -2.50 ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 1.81 ChemAxon pka_strongest_basic 9.1 ChemAxon iupac (2S)-2-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 310.3025 ChemAxon mono_mass 310.116486318 ChemAxon smiles N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O ChemAxon formula C14H18N2O6 ChemAxon inchi InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1 ChemAxon inchikey VVLXCWVSSLFQDS-QWRGUYRKSA-N ChemAxon polar_surface_area 149.95 ChemAxon refractivity 75.18 ChemAxon polarizability 30.71 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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 292177 Specdb::MsMs 292178 Specdb::MsMs 292179 Specdb::MsMs 332302 Specdb::MsMs 332303 Specdb::MsMs 332304 Specdb::MsMs 447359 Specdb::MsMs 2254713 Specdb::MsMs 2255885 Specdb::MsMs 2451796 Specdb::MsMs 2451797 Specdb::MsMs 2451798 Specdb::MsMs 2483125 Specdb::MsMs 2483126 Specdb::MsMs 2483127 Specdb::CMs 11870 Specdb::CMs 39790 Specdb::CMs 148993 Specdb::NmrOneD 94392 Specdb::NmrOneD 94393 Specdb::NmrOneD 94394 Specdb::NmrOneD 94395 Specdb::NmrOneD 94396 Specdb::NmrOneD 94397 Specdb::NmrOneD 94398 Specdb::NmrOneD 94399 Specdb::NmrOneD 94400 Specdb::NmrOneD 94401 Specdb::NmrOneD 94402 Specdb::NmrOneD 94403 Specdb::NmrOneD 94404 Specdb::NmrOneD 94405 Specdb::NmrOneD 94406 Specdb::NmrOneD 94407 Specdb::NmrOneD 94408 Specdb::NmrOneD 94409 Specdb::NmrOneD 94410 Specdb::NmrOneD 94411 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 FDB112194 85142 94340 82969