1.0 2010-04-08 22:12:46 UTC 2025-11-19 01:51:22 UTC FDB016992 N-(1-Deoxy-1-fructosyl)methionine 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-3-(methylthio)propyl]amino]-1-deoxyfructose, 9CI Fructose-methionine N-(1-Deoxy-1-fructosyl)methionine C11H21NO7S 311.352 311.103872721 (2S)-4-(methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid (2S)-4-(methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid 20638-92-0 CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C11H21NO7S/c1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(4-13)19-11/h6-9,12-15,18H,2-5H2,1H3,(H,16,17)/t6-,7+,8+,9-,11?/m0/s1 KEGDHFMPWJTRFP-ZVSNZSLMSA-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 -2.26 ALOGPS logs -0.70 ALOGPS solubility 6.22e+01 g/l ALOGPS melting_point Mp 95° dec. logp -4.2 ChemAxon pka_strongest_acidic 1.58 ChemAxon pka_strongest_basic 8.6 ChemAxon iupac (2S)-4-(methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid ChemAxon average_mass 311.352 ChemAxon mono_mass 311.103872721 ChemAxon smiles CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C11H21NO7S ChemAxon inchi InChI=1S/C11H21NO7S/c1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(4-13)19-11/h6-9,12-15,18H,2-5H2,1H3,(H,16,17)/t6-,7+,8+,9-,11?/m0/s1 ChemAxon inchikey KEGDHFMPWJTRFP-ZVSNZSLMSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 70.46 ChemAxon polarizability 30 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24272 Specdb::CMs 45571 Specdb::CMs 165440 Specdb::MsMs 83274 Specdb::MsMs 83275 Specdb::MsMs 83276 Specdb::MsMs 144837 Specdb::MsMs 144838 Specdb::MsMs 144839 Specdb::MsMs 2281111 Specdb::MsMs 2281112 Specdb::MsMs 2281113 Specdb::MsMs 3085012 Specdb::MsMs 3085013 Specdb::MsMs 3085014 Specdb::NmrOneD 23182 Specdb::NmrOneD 23183 Specdb::NmrOneD 23184 Specdb::NmrOneD 23185 Specdb::NmrOneD 23186 Specdb::NmrOneD 23187 Specdb::NmrOneD 23188 Specdb::NmrOneD 23189 Specdb::NmrOneD 23190 Specdb::NmrOneD 23191 Specdb::NmrOneD 23192 Specdb::NmrOneD 23193 Specdb::NmrOneD 23194 Specdb::NmrOneD 23195 Specdb::NmrOneD 23196 Specdb::NmrOneD 23197 Specdb::NmrOneD 23198 Specdb::NmrOneD 23199 Specdb::NmrOneD 23200 Specdb::NmrOneD 23201 HMDB37841 #<Reference:0x000055ce325c5d68>