1.0 2016-09-30 23:06:23 UTC 2020-05-11 20:40:44 UTC BMDB0003869 BMDB03869 Epsilon-(gamma-Glutamyl)-lysine epsilon-(gamma-L-Glutamyl)-L-lysine epsilon-(L-gamma-Glutamyl)-L-lysine gamma-Glu-epsilon-lys gamma-Glutamyl-epsilon-lysine L-gamma-Glutamyl-L-epsilon-lysine N(6)-L-gamma-Glutamyl-L-lysine N(epsilon)-(gamma-Glutamyl)-lysine epsilon-(g-L-Glutamyl)-L-lysine epsilon-(L-g-Glutamyl)-L-lysine g-Glu-epsilon-lys g-Glutamyl-epsilon-lysine L-g-Glutamyl-L-epsilon-lysine N(6)-L-g-Glutamyl-L-lysine N(epsilon)-(g-Glutamyl)-lysine epsilon-(g-Glutamyl)lysine epsilon-(gamma-Glu)-lys epsilon-(gamma-Glutamyl)lysine epsilon-(gamma-Glutamyl)lysine isodipeptide GGEL peptide N-epsilon-(gamma-L-Glutamyl)lysine epsilon-(gamma-Glutamyl)-lysine Epsilon-(g-Glutamyl)-lysine N6-L-gamma-Glutamyl-L-lysine N6-L-γ-Glutamyl-L-lysine Nepsilon(gamma-Glutamyl)lysine Nepsilon-(gamma-Glutamyl)-L-lysine Nε(γ-Glutamyl)lysine Nε-(γ-Glutamyl)-L-lysine epsilon-(gamma-L-Glutamyl)lysine epsilonN-(gamma-L-Glutamyl)-L-lysine γ-Glutamyl-ε-lysine ε-(L-γ-Glutamyl)-L-lysine ε-(γ-Glutamyl)lysine ε-(γ-L-Glutamyl)-L-lysine ε-(γ-L-Glutamyl)lysine εN-(γ-L-Glutamyl)-L-lysine C11H21N3O5 275.3015 275.148120797 (2S)-2-amino-6-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid N(6)-L-gamma-glutamyl-L-lysine 17105-15-6 N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 JPKNLFVGUZRHOB-YUMQZZPRSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine 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 Glutamine and derivatives Amino acids Amino fatty acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives L-alpha-amino acids Medium-chain fatty acids Monoalkylamines N-acyl amines Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid Medium-chain fatty acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp -3.96 ALOGPS logs -1.81 ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 1.94 ChemAxon pka_strongest_basic 9.73 ChemAxon iupac (2S)-2-amino-6-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid ChemAxon average_mass 275.3015 ChemAxon mono_mass 275.148120797 ChemAxon smiles N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O ChemAxon formula C11H21N3O5 ChemAxon inchi InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 ChemAxon inchikey JPKNLFVGUZRHOB-YUMQZZPRSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 65.9 ChemAxon polarizability 28.48 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 7 ChemAxon donor_count 5 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 14758 Specdb::CMs 38664 Specdb::CMs 152401 Specdb::NmrOneD 34842 Specdb::NmrOneD 34843 Specdb::NmrOneD 34844 Specdb::NmrOneD 34845 Specdb::NmrOneD 34846 Specdb::NmrOneD 34847 Specdb::NmrOneD 34848 Specdb::NmrOneD 34849 Specdb::NmrOneD 34850 Specdb::NmrOneD 34851 Specdb::NmrOneD 34852 Specdb::NmrOneD 34853 Specdb::NmrOneD 34854 Specdb::NmrOneD 34855 Specdb::NmrOneD 34856 Specdb::NmrOneD 34857 Specdb::NmrOneD 34858 Specdb::NmrOneD 34859 Specdb::NmrOneD 34860 Specdb::NmrOneD 34861 Specdb::MsMs 298594 Specdb::MsMs 298595 Specdb::MsMs 298596 Specdb::MsMs 340399 Specdb::MsMs 340400 Specdb::MsMs 340401 Specdb::MsMs 2755561 Specdb::MsMs 2755562 Specdb::MsMs 2755563 Specdb::MsMs 2954232 Specdb::MsMs 2954233 Specdb::MsMs 2954234 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023239 5378717 7015684 88494