1.0 2016-10-03 18:23:44 UTC 2020-05-05 18:38:31 UTC BMDB0011733 BMDB11733 Glycyl-glycine Glycyl-glycine, also known as gly-gly or GLY2, 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-glycine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. 2-(Aminoacetamido)acetic acid [(Aminoacetyl)amino]acetic acid Gly-gly Gly2 Glycine dipeptide N-Glycylglycine 2-(Aminoacetamido)acetate [(Aminoacetyl)amino]acetate ((Aminoacetyl)amino)acetic acid alpha-Glycylglycine Diglycine N-GLYCYL- glycine Glycylglycine hydrochloride Glycyl glycine Glycylglycine monohydrochloride Hydrochloride, glycylglycine Monohydrochloride, glycylglycine N Glycylglycine Glycyl-glycine C4H8N2O3 132.1179 132.053492132 2-(2-aminoacetamido)acetic acid Gly-Gly 556-50-3 NCC(=O)NCC(O)=O InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-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 Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative 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 aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide Solid melting_point 215 °C water_solubility 166 mg/mL at 21 °C logp -2.92 HANSCH,C ET AL. (1995) logp -3.23 ALOGPS logs -0.21 ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.52 ChemAxon pka_strongest_basic 8.14 ChemAxon iupac 2-(2-aminoacetamido)acetic acid ChemAxon average_mass 132.1179 ChemAxon mono_mass 132.053492132 ChemAxon smiles NCC(=O)NCC(O)=O ChemAxon formula C4H8N2O3 ChemAxon inchi InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) ChemAxon inchikey YMAWOPBAYDPSLA-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 28.81 ChemAxon polarizability 12.01 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::CMs 1553 Specdb::CMs 1554 Specdb::CMs 10317 Specdb::CMs 28768 Specdb::CMs 29931 Specdb::CMs 30356 Specdb::CMs 30561 Specdb::CMs 30562 Specdb::CMs 30871 Specdb::CMs 30872 Specdb::CMs 31556 Specdb::CMs 31557 Specdb::CMs 39784 Specdb::CMs 130352 Specdb::CMs 138086 Specdb::MsIr 2593 Specdb::MsIr 2594 Specdb::MsIr 2595 Specdb::NmrTwoD 1988 Specdb::MsMs 70587 Specdb::MsMs 70588 Specdb::MsMs 70589 Specdb::MsMs 129117 Specdb::MsMs 129118 Specdb::MsMs 129119 Specdb::MsMs 437726 Specdb::MsMs 437727 Specdb::MsMs 437728 Specdb::MsMs 437729 Specdb::MsMs 437730 Specdb::MsMs 439069 Specdb::MsMs 446206 Specdb::MsMs 446207 Specdb::MsMs 446208 Specdb::MsMs 446209 Specdb::MsMs 446210 Specdb::MsMs 448010 Specdb::MsMs 2226454 Specdb::MsMs 2228280 Specdb::MsMs 2228784 Specdb::MsMs 2230645 Specdb::MsMs 2231108 Specdb::MsMs 2233118 Specdb::MsMs 2233496 Specdb::NmrOneD 2055 Specdb::NmrOneD 94332 Specdb::NmrOneD 94333 Specdb::NmrOneD 94334 Specdb::NmrOneD 94335 Specdb::NmrOneD 94336 Specdb::NmrOneD 94337 Specdb::NmrOneD 94338 Specdb::NmrOneD 94339 Specdb::NmrOneD 94340 Specdb::NmrOneD 94341 Specdb::NmrOneD 94342 Specdb::NmrOneD 94343 Specdb::NmrOneD 94344 Specdb::NmrOneD 94345 Specdb::NmrOneD 94346 Specdb::NmrOneD 94347 Specdb::NmrOneD 94348 Specdb::NmrOneD 94349 Specdb::NmrOneD 94350 Specdb::NmrOneD 94351 Specdb::NmrOneD 166369 Specdb::NmrOneD 166417 Specdb::NmrOneD 166657 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 Commercial milk, by CIL LC-MS Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 FDB028413 10690 11163 C02037 17201 C00053264 GLYCYLGLYCINE Glycylglycine Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241