1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:39 UTC FDB016998 N-(1-Deoxy-1-fructosyl)tryptophan Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] 1-(N-L-Tryptophan)-1-deoxy-D-glucose 1-(N-Tryptophan)-1-deoxyfructose 1-[[1-Carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-deoxyfructose, 9CI Fructose-tryptophan N-(1-Deoxy-1-fructosyl)tryptophan TRP-Fru C17H22N2O7 366.3658 366.142701068 (2S)-3-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid (2S)-3-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid 25020-15-9 OC[C@H]1OC(O)(CN[C@@H](CC2=CNC3=CC=CC=C23)C(O)=O)[C@@H](O)[C@@H]1O InChI=1S/C17H22N2O7/c20-7-13-14(21)15(22)17(25,26-13)8-19-12(16(23)24)5-9-6-18-11-4-2-1-3-10(9)11/h1-4,6,12-15,18-22,25H,5,7-8H2,(H,23,24)/t12-,13+,14+,15-,17?/m0/s1 QWGZQROFKDGNKL-DHWLWTGASA-N belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. C-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 3-alkylindoles Amino acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives L-alpha-amino acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Polyols Primary alcohols Secondary alcohols Substituted pyrroles Tetrahydrofurans 3-alkylindole Alcohol Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid C-glycosyl compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hemiacetal Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives L-alpha-amino acid Monocarboxylic acid or derivatives Monosaccharide Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose monosaccharide Polyol Primary alcohol Pyrrole Secondary alcohol Secondary aliphatic amine Secondary amine Substituted pyrrole Tetrahydrofuran logp -0.68 ALOGPS logs -1.71 ALOGPS solubility 7.09e+00 g/l ALOGPS melting_point Mp 143 dec° (dihydrate) logp -3.1 ChemAxon pka_strongest_acidic 1.69 ChemAxon pka_strongest_basic 8.76 ChemAxon iupac (2S)-3-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid ChemAxon average_mass 366.3658 ChemAxon mono_mass 366.142701068 ChemAxon smiles OC[C@H]1OC(O)(CN[C@@H](CC2=CNC3=CC=CC=C23)C(O)=O)[C@@H](O)[C@@H]1O ChemAxon formula C17H22N2O7 ChemAxon inchi InChI=1S/C17H22N2O7/c20-7-13-14(21)15(22)17(25,26-13)8-19-12(16(23)24)5-9-6-18-11-4-2-1-3-10(9)11/h1-4,6,12-15,18-22,25H,5,7-8H2,(H,23,24)/t12-,13+,14+,15-,17?/m0/s1 ChemAxon inchikey QWGZQROFKDGNKL-DHWLWTGASA-N ChemAxon polar_surface_area 155.27 ChemAxon refractivity 89.08 ChemAxon polarizability 35.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104427 Specdb::MsMs 104428 Specdb::MsMs 104429 Specdb::MsMs 170709 Specdb::MsMs 170710 Specdb::MsMs 170711 HMDB37847 #<Reference:0x000055ce2d9e1410>