1.0 2018-07-17 17:47:21 UTC 2020-03-13 17:36:38 UTC BMDB0062537 BMDB62537 N(5)-ethyl-L-glutamine L-Theanine 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. L-Theanine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. L-Theanine exists in all living organisms, ranging from bacteria to humans. N5-Ethyl-L-glutamine gamma-Glutamylethylamide Theanine, (D)-isomer L-Glutamic acid-gamma-ethylamide Theanine, (DL)-isomer delta-Glutamylethylamide Theanine, (L)-isomer (+)-Theanine L-gamma-Glutamylethylamide L-Γ-glutamylethylamide N-gamma-Ethyl-L-glutamine N-Γ-ethyl-L-glutamine Nγ-ethyl-L-glutamine Suntheanine Theanin N(5)-Ethyl-L-glutamine Theanine L-Theanine C7H14N2O3 174.1977 174.100442324 (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid theanine 3081-61-6 [H][C@](N)(CCC(O)=NCC)C(O)=O InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 DATAGRPVKZEWHA-YFKPBYRVSA-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 Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives N-acyl-amine 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 N(5)-alkyl-L-glutamine water_solubility 4.25e+00 g/l ALOGPS logp -2.52 ALOGPS logp -2.52 ALOGPS logs -1.61 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 2.35 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid ChemAxon average_mass 174.1977 ChemAxon mono_mass 174.100442324 ChemAxon smiles [H][C@](N)(CCC(O)=NCC)C(O)=O ChemAxon formula C7H14N2O3 ChemAxon inchi InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 ChemAxon inchikey DATAGRPVKZEWHA-YFKPBYRVSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 42.76 ChemAxon polarizability 17.89 ChemAxon rotatable_bond_count 5 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::MsIr 6573 Specdb::MsIr 6574 Specdb::MsIr 6575 Specdb::CMs 1408 Specdb::CMs 1453 Specdb::CMs 8929 Specdb::CMs 49046 Specdb::CMs 160186 Specdb::NmrOneD 125998 Specdb::NmrOneD 125999 Specdb::NmrOneD 126000 Specdb::NmrOneD 126001 Specdb::NmrOneD 126002 Specdb::NmrOneD 126003 Specdb::NmrOneD 126004 Specdb::NmrOneD 126005 Specdb::NmrOneD 126006 Specdb::NmrOneD 126007 Specdb::NmrOneD 126008 Specdb::NmrOneD 126009 Specdb::NmrOneD 126010 Specdb::NmrOneD 126011 Specdb::NmrOneD 126012 Specdb::NmrOneD 126013 Specdb::NmrOneD 126014 Specdb::NmrOneD 126015 Specdb::NmrOneD 126016 Specdb::NmrOneD 126017 Specdb::MsMs 262662 Specdb::MsMs 262663 Specdb::MsMs 262664 Specdb::MsMs 282594 Specdb::MsMs 282595 Specdb::MsMs 282596 Specdb::MsMs 437604 Specdb::MsMs 437605 Specdb::MsMs 437606 Specdb::MsMs 437607 Specdb::MsMs 437608 Specdb::MsMs 446098 Specdb::MsMs 446099 Specdb::MsMs 446100 Specdb::MsMs 446101 Specdb::MsMs 2235730 Specdb::MsMs 2237630 Specdb::MsMs 2430730 Specdb::MsMs 2430731 Specdb::MsMs 2430732 Specdb::MsMs 2508973 Specdb::MsMs 2508974 Specdb::MsMs 2508975 Milk Fermented milk, by capillary electrophoresis-TOFMS Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724 FDB012738 C01047 DB12444 388498 C00030691 439378 17394 L-theanine Hagi T, Kobayashi M, Nomura M: Metabolome analysis of milk fermented by gamma-aminobutyric acid-producing Lactococcus lactis. J Dairy Sci. 2016 Feb;99(2):994-1001. doi: 10.3168/jds.2015-9945. Epub 2015 Dec 10. 26686724