1.0 2010-04-08 22:13:29 UTC 2019-11-26 03:15:38 UTC FDB018061 N-(1-Deoxy-1-fructosyl)alanine 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]. N-(1-Deoxy-1-fructosyl)alanine is found in green vegetables and root vegetables. 1-[(1-Carboxyethyl)amino]-1-deoxyfructose, 9CI 1-Deoxyalaninofructose Fructose-alanine N-(1-Deoxy-1-fructosyl)alanine C9H17NO7 251.2338 251.100501903 (2S)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid (2S)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid 16124-24-6 C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(2-11)17-9/h4-7,10-13,16H,2-3H2,1H3,(H,14,15)/t4-,5+,6+,7-,9?/m0/s1 BDMCSTCUMFCYDF-MBGOVIFWSA-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 Aliphatic heteromonocyclic compounds Alanine and derivatives Amino acids Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Hydrocarbon derivatives L-alpha-amino acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alanine or derivatives Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives C-glycosyl compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hemiacetal Hydrocarbon derivative 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 Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydrofuran logp -2.70 ALOGPS logs -0.05 ALOGPS solubility 2.24e+02 g/l ALOGPS melting_point Mp 184° dec. logp -4.9 ChemAxon pka_strongest_acidic 1.45 ChemAxon pka_strongest_basic 8.53 ChemAxon iupac (2S)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid ChemAxon average_mass 251.2338 ChemAxon mono_mass 251.100501903 ChemAxon smiles C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C9H17NO7 ChemAxon inchi InChI=1S/C9H17NO7/c1-4(8(14)15)10-3-9(16)7(13)6(12)5(2-11)17-9/h4-7,10-13,16H,2-3H2,1H3,(H,14,15)/t4-,5+,6+,7-,9?/m0/s1 ChemAxon inchikey BDMCSTCUMFCYDF-MBGOVIFWSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 53.37 ChemAxon polarizability 23.28 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22185 Specdb::CMs 45960 Specdb::CMs 145819 Specdb::MsMs 84381 Specdb::MsMs 84382 Specdb::MsMs 84383 Specdb::MsMs 146214 Specdb::MsMs 146215 Specdb::MsMs 146216 Specdb::MsMs 2285857 Specdb::MsMs 2285858 Specdb::MsMs 2285859 Specdb::MsMs 3082968 Specdb::MsMs 3082969 Specdb::MsMs 3082970 Specdb::NmrOneD 27762 Specdb::NmrOneD 27763 Specdb::NmrOneD 27764 Specdb::NmrOneD 27765 Specdb::NmrOneD 27766 Specdb::NmrOneD 27767 Specdb::NmrOneD 27768 Specdb::NmrOneD 27769 Specdb::NmrOneD 27770 Specdb::NmrOneD 27771 Specdb::NmrOneD 27772 Specdb::NmrOneD 27773 Specdb::NmrOneD 27774 Specdb::NmrOneD 27775 Specdb::NmrOneD 27776 Specdb::NmrOneD 27777 Specdb::NmrOneD 27778 Specdb::NmrOneD 27779 Specdb::NmrOneD 27780 Specdb::NmrOneD 27781 HMDB38662 #<Reference:0x000055ce334149f0> Green vegetables Unknown generic Root vegetables Unknown generic