1.0 2018-07-17 17:21:17 UTC 2020-04-22 15:51:41 UTC BMDB0062232 BMDB62232 Glutaminyllysine Glutaminyllysine, also known as Q-K dipeptide or GLN-lys, 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. Glutaminyllysine is possibly soluble (in water) and a very strong basic compound (based on its pKa). GLN-Lys L-Glutaminyl-L-lysine N2-Glutaminyllysine N2-L-Glutaminyl-L-lysine Glutaminyl-lysine Glutamine lysine dipeptide Glutamine-lysine dipeptide Q-K Dipeptide QK Dipeptide L-GLN-L-Lys (2S)-6-Amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoate Glutaminyllysine C11H22N4O4 274.321 274.164105204 (2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid (2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid 45234-03-5 [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1 CLSDNFWKGFJIBZ-YUMQZZPRSA-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 Amino fatty acids Carbonyl compounds Carboxylic acids Glutamine and derivatives Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Primary carboxylic acid amides 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 Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Aliphatic acyclic compounds logp -2.66 ALOGPS logs -2.82 ALOGPS logp -7.9 ChemAxon pka_strongest_acidic -0.49 ChemAxon pka_strongest_basic 12.93 ChemAxon iupac (2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid ChemAxon average_mass 274.321 ChemAxon mono_mass 274.164105204 ChemAxon smiles [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O ChemAxon formula C11H22N4O4 ChemAxon inchi InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1 ChemAxon inchikey CLSDNFWKGFJIBZ-YUMQZZPRSA-N ChemAxon polar_surface_area 166.01 ChemAxon refractivity 79.18 ChemAxon polarizability 28.76 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 6 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 134499 Specdb::CMs 142233 Specdb::MsMs 1253479 Specdb::MsMs 1253480 Specdb::MsMs 1253481 Specdb::MsMs 1368700 Specdb::MsMs 1368701 Specdb::MsMs 1368702 Specdb::MsMs 3223435 Specdb::MsMs 3223436 Specdb::MsMs 3223437 Specdb::MsMs 3223438 Specdb::MsMs 3223439 Specdb::MsMs 3223440 Specdb::NmrOneD 155130 Specdb::NmrOneD 155131 Specdb::NmrOneD 155132 Specdb::NmrOneD 155133 Specdb::NmrOneD 155134 Specdb::NmrOneD 155135 Specdb::NmrOneD 155136 Specdb::NmrOneD 155137 Specdb::NmrOneD 155138 Specdb::NmrOneD 155139 Specdb::NmrOneD 155140 Specdb::NmrOneD 155141 Specdb::NmrOneD 155142 Specdb::NmrOneD 155143 Specdb::NmrOneD 155144 Specdb::NmrOneD 155145 Specdb::NmrOneD 155146 Specdb::NmrOneD 155147 Specdb::NmrOneD 155148 Specdb::NmrOneD 155149 Milk Raw milk, by UPLC-Q-TOF MS E Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601 FDB098198 57537705 71363012 Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601