1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:29 UTC FDB012738 L-Theanine Constituent of tea (Thea sinensis) and of the fungus Xerocomus badius (kostanjevka). L-Theanine is found in tea and mushrooms. (+)-Theanine L-gamma-Glutamylethylamide L-Theanine N-gamma-Ethyl-L-glutamine Theanine Theanine; L-form C7H14N2O3 174.1977 174.100442324 2-amino-4-(ethyl-C-hydroxycarbonimidoyl)butanoic acid 2-amino-4-(ethyl-C-hydroxycarbonimidoyl)butanoic acid 3081-61-6 CCN=C(O)CCC(N)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) DATAGRPVKZEWHA-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. Glutamine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives 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 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 logp -2.52 ALOGPS logs -1.61 ALOGPS solubility 4.25e+00 g/l ALOGPS melting_point Mp 217-218° dec. logp -3.3 ChemAxon pka_strongest_acidic 2.15 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 2-amino-4-(ethyl-C-hydroxycarbonimidoyl)butanoic acid ChemAxon average_mass 174.1977 ChemAxon mono_mass 174.100442324 ChemAxon smiles CCN=C(O)CCC(N)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) ChemAxon inchikey DATAGRPVKZEWHA-UHFFFAOYSA-N ChemAxon polar_surface_area 95.91 ChemAxon refractivity 43.28 ChemAxon polarizability 18.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10280 Specdb::CMs 43842 Specdb::MsMs 104976 Specdb::MsMs 104977 Specdb::MsMs 104978 Specdb::MsMs 171369 Specdb::MsMs 171370 Specdb::MsMs 171371 Specdb::MsMs 452006 HMDB34365 #<Reference:0x000055ce32d14ab0> #<Reference:0x000055ce32d148f8> Black tea Type 1 393.7 925.0 3.5 mg/100 g Common mushroom Type 1 specific Agaricus bisporus 5341 Green tea Type 1 393.7 925.0 3.5 mg/100 g Herbal tea Type 1 393.7 925.0 3.5 mg/100 g Milk (Cow) Type 2 specific Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Red tea Type 1 393.7 925.0 3.5 mg/100 g Tea Type 1 specific Camellia sinensis 4442 393.7 925.0 3.5 mg/100 g Anti thromboxane 651 A substance that diminishes the rate of a chemical reaction. Hypocholesterolemic 1016