1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:38 UTC FDB016994 N-(1-Deoxy-1-fructosyl)threonine 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] (R)-(+)-4-Isopropyl-1-methylcyclohexene (R)-4-(Isopropyl)-1-methylcyclohexene 1-[(1-Carboxy-2-hydroxypropyl)amino]-1-deoxyfructose, 9CI 1-Methyl-4-(1-methylethyl)-(R)-cyclohexene Carvomenthene Fructose-threonine N-(1-Deoxy-1-fructosyl)threonine C10H19NO8 281.2598 281.111066589 (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid 70954-04-0 CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C10H19NO8/c1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10/h4-8,11-15,18H,2-3H2,1H3,(H,16,17)/t4?,5-,6+,7-,8+,10?/m1/s1 JUBGLICOZRKBCO-KNWYLTHMSA-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 Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids L-alpha-amino acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Polyols Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Beta-hydroxy acid C-glycosyl compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hemiacetal Heterocyclic fatty acid Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid 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 Short-chain hydroxy acid Tetrahydrofuran logp -2.66 ALOGPS logs -0.05 ALOGPS solubility 2.52e+02 g/l ALOGPS melting_point Mp 108° dec. logp -5.4 ChemAxon pka_strongest_acidic 2.77 ChemAxon pka_strongest_basic 6.85 ChemAxon iupac (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid ChemAxon average_mass 281.2598 ChemAxon mono_mass 281.111066589 ChemAxon smiles CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C10H19NO8 ChemAxon inchi InChI=1S/C10H19NO8/c1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10/h4-8,11-15,18H,2-3H2,1H3,(H,16,17)/t4?,5-,6+,7-,8+,10?/m1/s1 ChemAxon inchikey JUBGLICOZRKBCO-KNWYLTHMSA-N ChemAxon polar_surface_area 159.71 ChemAxon refractivity 59.33 ChemAxon polarizability 25.75 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15949 Specdb::CMs 45573 Specdb::CMs 154655 Specdb::NmrOneD 23222 Specdb::NmrOneD 23223 Specdb::NmrOneD 23224 Specdb::NmrOneD 23225 Specdb::NmrOneD 23226 Specdb::NmrOneD 23227 Specdb::NmrOneD 23228 Specdb::NmrOneD 23229 Specdb::NmrOneD 23230 Specdb::NmrOneD 23231 Specdb::NmrOneD 23232 Specdb::NmrOneD 23233 Specdb::NmrOneD 23234 Specdb::NmrOneD 23235 Specdb::NmrOneD 23236 Specdb::NmrOneD 23237 Specdb::NmrOneD 23238 Specdb::NmrOneD 23239 Specdb::NmrOneD 23240 Specdb::NmrOneD 23241 Specdb::MsMs 78789 Specdb::MsMs 78790 Specdb::MsMs 78791 Specdb::MsMs 139239 Specdb::MsMs 139240 Specdb::MsMs 139241 Specdb::MsMs 2440480 Specdb::MsMs 2440481 Specdb::MsMs 2440482 Specdb::MsMs 2525280 Specdb::MsMs 2525281 Specdb::MsMs 2525282 HMDB37843 #<Reference:0x000055ce32191760>