1.0 2010-04-08 22:04:35 UTC 2020-02-24 19:10:08 UTC FDB000493 (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside Isolated from Pisum sativum (peas). (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside is found in pulses and common pea. (S)-2-Amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)propanoic acid N2-b-D-glucoside (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-b-D-glucoside (S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside 2-Amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)propanoic acid N2-glucoside C12H18N2O9 334.2793 334.101230184 2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1,2-oxazol-4-yl}propanoic acid 2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-oxazol-4-yl}propanoic acid 29790-46-3 NC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=O InChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20) OURYTICKCZBKFC-UHFFFAOYSA-N belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Glycosylamines Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Alpha amino acids Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hexoses Hydrocarbon derivatives Isoxazoles Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous amides Alcohol Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Isoxazole Monocarboxylic acid or derivatives Monosaccharide N-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Vinylogous amide logp -2.87 ALOGPS logs -0.69 ALOGPS solubility 6.86e+01 g/l ALOGPS melting_point Mp 182° dec. logp -5.8 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic 9.46 ChemAxon iupac 2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1,2-oxazol-4-yl}propanoic acid ChemAxon average_mass 334.2793 ChemAxon mono_mass 334.101230184 ChemAxon smiles NC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=O ChemAxon formula C12H18N2O9 ChemAxon inchi InChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20) ChemAxon inchikey OURYTICKCZBKFC-UHFFFAOYSA-N ChemAxon polar_surface_area 183.01 ChemAxon refractivity 70.01 ChemAxon polarizability 31.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15820 Specdb::CMs 41331 Specdb::CMs 130409 Specdb::CMs 138143 Specdb::NmrOneD 158070 Specdb::NmrOneD 158071 Specdb::NmrOneD 158072 Specdb::NmrOneD 158073 Specdb::NmrOneD 158074 Specdb::NmrOneD 158075 Specdb::NmrOneD 158076 Specdb::NmrOneD 158077 Specdb::NmrOneD 158078 Specdb::NmrOneD 158079 Specdb::NmrOneD 158080 Specdb::NmrOneD 158081 Specdb::NmrOneD 158082 Specdb::NmrOneD 158083 Specdb::NmrOneD 158084 Specdb::NmrOneD 158085 Specdb::NmrOneD 158086 Specdb::NmrOneD 158087 Specdb::NmrOneD 158088 Specdb::NmrOneD 158089 Specdb::MsMs 13175 Specdb::MsMs 13176 Specdb::MsMs 13177 Specdb::MsMs 19847 Specdb::MsMs 19848 Specdb::MsMs 19849 Specdb::MsMs 2760485 Specdb::MsMs 2760486 Specdb::MsMs 2760487 Specdb::MsMs 2946015 Specdb::MsMs 2946016 Specdb::MsMs 2946017 HMDB29404 #<Reference:0x000055ce3162d5b8> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic