1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:38 UTC FDB016993 N-(1-Deoxy-1-fructosyl)serine 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-hydroxyethyl)amino]-1-deoxyfructose, 9CI Fructose-serine N-(1-Deoxy-1-fructosyl)serine C9H17NO8 267.2332 267.095416525 (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid 87251-79-4 OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1 KUVQLWYPNUQGDT-MBGOVIFWSA-N belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Serine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids Beta hydroxy acids and derivatives 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 Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Beta-hydroxy acid C-glycosyl compound Carbonyl group Carboxylic acid Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxy acid L-alpha-amino 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 Serine or derivatives Tetrahydrofuran logp -2.86 ALOGPS logs -0.19 ALOGPS solubility 1.72e+02 g/l ALOGPS melting_point Mp 110° dec. logp -5.8 ChemAxon pka_strongest_acidic 2.68 ChemAxon pka_strongest_basic 6.69 ChemAxon iupac (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid ChemAxon average_mass 267.2332 ChemAxon mono_mass 267.095416525 ChemAxon smiles OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C9H17NO8 ChemAxon inchi InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1 ChemAxon inchikey KUVQLWYPNUQGDT-MBGOVIFWSA-N ChemAxon polar_surface_area 159.71 ChemAxon refractivity 54.92 ChemAxon polarizability 23.95 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 23202 Specdb::NmrOneD 23203 Specdb::NmrOneD 23204 Specdb::NmrOneD 23205 Specdb::NmrOneD 23206 Specdb::NmrOneD 23207 Specdb::NmrOneD 23208 Specdb::NmrOneD 23209 Specdb::NmrOneD 23210 Specdb::NmrOneD 23211 Specdb::NmrOneD 23212 Specdb::NmrOneD 23213 Specdb::NmrOneD 23214 Specdb::NmrOneD 23215 Specdb::NmrOneD 23216 Specdb::NmrOneD 23217 Specdb::NmrOneD 23218 Specdb::NmrOneD 23219 Specdb::NmrOneD 23220 Specdb::NmrOneD 23221 Specdb::CMs 22312 Specdb::CMs 45572 Specdb::CMs 155023 Specdb::MsMs 70032 Specdb::MsMs 70033 Specdb::MsMs 70034 Specdb::MsMs 128454 Specdb::MsMs 128455 Specdb::MsMs 128456 Specdb::MsMs 2692289 Specdb::MsMs 2692290 Specdb::MsMs 2692291 Specdb::MsMs 2990090 Specdb::MsMs 2990091 Specdb::MsMs 2990092 HMDB37842 #<Reference:0x000055ce30610608>