1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:38 UTC FDB016995 N-(1-Deoxy-1-fructosyl)valine 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-Carboxy2-methylpropyl)amino]-1-deoxyfructose, 9CI Fructose-valine N-(1-Deoxy-1-fructosyl)valine C11H21NO7 279.2869 279.131802031 (2S)-3-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid (2S)-3-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid CC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(3-13)19-11/h5-9,12-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11?/m1/s1 OANCGDPJMNPBDV-BUFOXMIFSA-N belongs to the class of organic compounds known as valine and derivatives. Valine and derivatives are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Valine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids C-glycosyl compounds Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids L-alpha-amino acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Branched fatty acid C-glycosyl compound Carbonyl group Carboxylic acid Fatty acid Fatty acyl Glycosyl compound Hemiacetal Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid L-alpha-amino acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydrofuran Valine or derivatives logp -2.16 ALOGPS logs -0.12 ALOGPS solubility 2.14e+02 g/l ALOGPS melting_point Mp 156° dec. logp -4 ChemAxon pka_strongest_acidic 1.6 ChemAxon pka_strongest_basic 8.81 ChemAxon iupac (2S)-3-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid ChemAxon average_mass 279.2869 ChemAxon mono_mass 279.131802031 ChemAxon smiles CC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C11H21NO7 ChemAxon inchi InChI=1S/C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(3-13)19-11/h5-9,12-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11?/m1/s1 ChemAxon inchikey OANCGDPJMNPBDV-BUFOXMIFSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 62.37 ChemAxon polarizability 26.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9364 Specdb::CMs 45574 Specdb::CMs 147934 Specdb::NmrOneD 23242 Specdb::NmrOneD 23243 Specdb::NmrOneD 23244 Specdb::NmrOneD 23245 Specdb::NmrOneD 23246 Specdb::NmrOneD 23247 Specdb::NmrOneD 23248 Specdb::NmrOneD 23249 Specdb::NmrOneD 23250 Specdb::NmrOneD 23251 Specdb::NmrOneD 23252 Specdb::NmrOneD 23253 Specdb::NmrOneD 23254 Specdb::NmrOneD 23255 Specdb::NmrOneD 23256 Specdb::NmrOneD 23257 Specdb::NmrOneD 23258 Specdb::NmrOneD 23259 Specdb::NmrOneD 23260 Specdb::NmrOneD 23261 Specdb::MsMs 71682 Specdb::MsMs 71683 Specdb::MsMs 71684 Specdb::MsMs 130389 Specdb::MsMs 130390 Specdb::MsMs 130391 Specdb::MsMs 2433679 Specdb::MsMs 2433680 Specdb::MsMs 2433681 Specdb::MsMs 2504897 Specdb::MsMs 2504898 Specdb::MsMs 2504899 HMDB37844 #<Reference:0x000055ce3251acb0>