1.0 2020-03-03 19:25:55 UTC 2020-04-22 15:55:29 UTC BMDB0063845 BMDB63845 Cysteinyl-Gamma-glutamate Cysteinyl-g-glutamate Cysteinyl-g-glutamic acid Cysteinyl-gamma-glutamic acid Cysteinyl-γ-glutamate Cysteinyl-γ-glutamic acid C-GE dipeptide CGE dipeptide Cys-gglu Cysteine gamma-glutamate dipeptide Cysteine-gamma-glutamate dipeptide Cysteinylgamma-glutamate L-Cysteinyl-L-gamma-glutamate 2-Amino-4-[(2-amino-3-sulfanylpropanoyl)-C-hydroxycarbonimidoyl]butanoate 2-Amino-4-[(2-amino-3-sulphanylpropanoyl)-C-hydroxycarbonimidoyl]butanoate 2-Amino-4-[(2-amino-3-sulphanylpropanoyl)-C-hydroxycarbonimidoyl]butanoic acid C8H15N3O4S 249.287 249.078326673 2-amino-4-[(2-amino-3-sulfanylpropanoyl)carbamoyl]butanoic acid 2-amino-4-[(2-amino-3-sulfanylpropanoyl)carbamoyl]butanoic acid NC(CCC(=O)NC(=O)C(N)CS)C(O)=O InChI=1S/C8H15N3O4S/c9-4(8(14)15)1-2-6(12)11-7(13)5(10)3-16/h4-5,16H,1-3,9-10H2,(H,14,15)(H,11,12,13) XPAFFAFOIOJDEH-UHFFFAOYSA-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 Alkylthiols Alpha amino acid amides Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dicarboximides Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alkylthiol Alpha-amino acid Alpha-amino acid amide Amine Amino acid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Cysteine or derivatives Dicarboximide Fatty acid Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds logp -2.70 ALOGPS logs -1.80 ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 2 ChemAxon pka_strongest_basic 9.3 ChemAxon iupac 2-amino-4-[(2-amino-3-sulfanylpropanoyl)carbamoyl]butanoic acid ChemAxon average_mass 249.287 ChemAxon mono_mass 249.078326673 ChemAxon smiles NC(CCC(=O)NC(=O)C(N)CS)C(O)=O ChemAxon formula C8H15N3O4S ChemAxon inchi InChI=1S/C8H15N3O4S/c9-4(8(14)15)1-2-6(12)11-7(13)5(10)3-16/h4-5,16H,1-3,9-10H2,(H,14,15)(H,11,12,13) ChemAxon inchikey XPAFFAFOIOJDEH-UHFFFAOYSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 58.26 ChemAxon polarizability 24.31 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 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 19464 Specdb::CMs 40876 Specdb::CMs 130910 Specdb::CMs 138644 Specdb::MsMs 309277 Specdb::MsMs 309278 Specdb::MsMs 309279 Specdb::MsMs 353665 Specdb::MsMs 353666 Specdb::MsMs 353667 Specdb::MsMs 3223360 Specdb::MsMs 3223361 Specdb::MsMs 3223362 Specdb::MsMs 3223363 Specdb::MsMs 3223364 Specdb::MsMs 3223365 Specdb::NmrOneD 105358 Specdb::NmrOneD 105359 Specdb::NmrOneD 105360 Specdb::NmrOneD 105361 Specdb::NmrOneD 105362 Specdb::NmrOneD 105363 Specdb::NmrOneD 105364 Specdb::NmrOneD 105365 Specdb::NmrOneD 105366 Specdb::NmrOneD 105367 Specdb::NmrOneD 105368 Specdb::NmrOneD 105369 Specdb::NmrOneD 105370 Specdb::NmrOneD 105371 Specdb::NmrOneD 105372 Specdb::NmrOneD 105373 Specdb::NmrOneD 105374 Specdb::NmrOneD 105375 Specdb::NmrOneD 105376 Specdb::NmrOneD 105377 FDB111838 35032793 131750738 173772