1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:39 UTC FDB016996 N-(1-Deoxy-1-fructosyl)tyrosine 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-[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-deoxyfructose, 9CI Fructose-tyrosine N-(1-Deoxy-1-fructosyl)tyrosine C15H21NO8 343.3291 343.126716653 (2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid (2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid 34393-22-1 OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1 QLJKHQIODQKMNW-VJDSNFAGSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tyrosine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Amino acids Amphetamines and derivatives Aralkylamines C-glycosyl compounds Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Hydrocarbon derivatives L-alpha-amino acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Phenylalanine and derivatives Phenylpropanoic acids Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alcohol Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Benzenoid C-glycosyl compound Carbonyl group Carboxylic acid Glycosyl compound Hemiacetal Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Phenol Phenylalanine or derivatives Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydrofuran Tyrosine or derivatives logp -1.15 ALOGPS logs -1.11 ALOGPS solubility 2.66e+01 g/l ALOGPS melting_point Mp 115° dec. logp -3.5 ChemAxon pka_strongest_acidic 1.39 ChemAxon pka_strongest_basic 8.6 ChemAxon iupac (2S)-3-(4-hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid ChemAxon average_mass 343.3291 ChemAxon mono_mass 343.126716653 ChemAxon smiles OC[C@H]1OC(O)(CN[C@@H](CC2=CC=C(O)C=C2)C(O)=O)[C@@H](O)[C@@H]1O ChemAxon formula C15H21NO8 ChemAxon inchi InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1 ChemAxon inchikey QLJKHQIODQKMNW-VJDSNFAGSA-N ChemAxon polar_surface_area 159.71 ChemAxon refractivity 79.97 ChemAxon polarizability 33.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15522 Specdb::CMs 45575 Specdb::CMs 131652 Specdb::CMs 139386 Specdb::NmrOneD 23262 Specdb::NmrOneD 23263 Specdb::NmrOneD 23264 Specdb::NmrOneD 23265 Specdb::NmrOneD 23266 Specdb::NmrOneD 23267 Specdb::NmrOneD 23268 Specdb::NmrOneD 23269 Specdb::NmrOneD 23270 Specdb::NmrOneD 23271 Specdb::NmrOneD 23272 Specdb::NmrOneD 23273 Specdb::NmrOneD 23274 Specdb::NmrOneD 23275 Specdb::NmrOneD 23276 Specdb::NmrOneD 23277 Specdb::NmrOneD 23278 Specdb::NmrOneD 23279 Specdb::NmrOneD 23280 Specdb::NmrOneD 23281 Specdb::MsMs 71787 Specdb::MsMs 71788 Specdb::MsMs 71789 Specdb::MsMs 130533 Specdb::MsMs 130534 Specdb::MsMs 130535 Specdb::MsMs 2712323 Specdb::MsMs 2712324 Specdb::MsMs 2712325 Specdb::MsMs 2996858 Specdb::MsMs 2996859 Specdb::MsMs 2996860 HMDB37845 #<Reference:0x000055ce31f2c880>