1.0 2018-07-17 17:21:38 UTC 2020-05-05 18:38:40 UTC BMDB0062236 BMDB62236 Glycyl-Serine Glycyl-serine, also known as g-S dipeptide or gly-ser, 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. Glycyl-serine is possibly soluble (in water) and a very strong basic compound (based on its pKa). g-S Dipeptide Gly-ser Glycine serine dipeptide Glycine-serine dipeptide Glycylserine GS Dipeptide L-Glycyl-L-serine 2-[(2-Amino-1-hydroxyethylidene)amino]-3-hydroxypropanoate GlySer C5H10N2O4 162.1439 162.064056818 2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoic acid 2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoic acid NCC(O)=NC(CO)C(O)=O InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11) BCCRXDTUTZHDEU-UHFFFAOYSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary alcohols Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds logp -3.32 ALOGPS logs -1.02 ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic 9.33 ChemAxon iupac 2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoic acid ChemAxon average_mass 162.1439 ChemAxon mono_mass 162.064056818 ChemAxon smiles NCC(O)=NC(CO)C(O)=O ChemAxon formula C5H10N2O4 ChemAxon inchi InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11) ChemAxon inchikey BCCRXDTUTZHDEU-UHFFFAOYSA-N ChemAxon polar_surface_area 116.14 ChemAxon refractivity 35.37 ChemAxon polarizability 14.87 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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::MsIr 34 Specdb::MsIr 3326 Specdb::MsIr 3327 Specdb::MsIr 3328 Specdb::CMs 23898 Specdb::CMs 40908 Specdb::CMs 132976 Specdb::CMs 140710 Specdb::MsMs 318949 Specdb::MsMs 318950 Specdb::MsMs 318951 Specdb::MsMs 365896 Specdb::MsMs 365897 Specdb::MsMs 365898 Specdb::MsMs 2836647 Specdb::MsMs 2836648 Specdb::MsMs 2836649 Specdb::MsMs 2872478 Specdb::MsMs 2872479 Specdb::MsMs 2872480 Specdb::NmrOneD 105758 Specdb::NmrOneD 105759 Specdb::NmrOneD 105760 Specdb::NmrOneD 105761 Specdb::NmrOneD 105762 Specdb::NmrOneD 105763 Specdb::NmrOneD 105764 Specdb::NmrOneD 105765 Specdb::NmrOneD 105766 Specdb::NmrOneD 105767 Specdb::NmrOneD 105768 Specdb::NmrOneD 105769 Specdb::NmrOneD 105770 Specdb::NmrOneD 105771 Specdb::NmrOneD 105772 Specdb::NmrOneD 105773 Specdb::NmrOneD 105774 Specdb::NmrOneD 105775 Specdb::NmrOneD 105776 Specdb::NmrOneD 105777 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 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB098202 92542 102466 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828