1.02010-04-08 22:04:35 UTC2020-02-24 19:10:08 UTCFDB000493(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucosideIsolated 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-glucoside2-Amino-3-(5-oxo-2,5-dihydro-1,2-oxazol-4-yl)propanoic acid N2-glucosideC12H18N2O9334.2793334.1012301842-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1,2-oxazol-4-yl}propanoic acid2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-oxazol-4-yl}propanoic acid29790-46-3NC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=OInChI=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).GlycosylaminesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compoundsAlpha amino acidsAmino acidsAralkylaminesAzacyclic compoundsCarbonyl compoundsCarboxylic acidsHeteroaromatic compoundsHexosesHydrocarbon derivativesIsoxazolesMonoalkylaminesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsVinylogous amidesAlcoholAlpha-amino acidAlpha-amino acid or derivativesAmineAmino acidAmino acid or derivativesAralkylamineAromatic heteromonocyclic compoundAzacycleAzoleCarbonyl groupCarboxylic acidCarboxylic acid derivativeHeteroaromatic compoundHexose monosaccharideHydrocarbon derivativeIsoxazoleMonocarboxylic acid or derivativesMonosaccharideN-glycosyl compoundOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOxacycleOxanePolyolPrimary alcoholPrimary aliphatic aminePrimary amineSecondary alcoholVinylogous amidelogp-2.87logs-0.69solubility6.86e+01 g/lmelting_pointMp 182° dec.logp-5.8pka_strongest_acidic1.51pka_strongest_basic9.46iupac2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1,2-oxazol-4-yl}propanoic acidaverage_mass334.2793mono_mass334.101230184smilesNC(CC1=CN(OC1=O)C1OC(CO)C(O)C(O)C1O)C(O)=OformulaC12H18N2O9inchiInChI=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)inchikeyOURYTICKCZBKFC-UHFFFAOYSA-Npolar_surface_area183.01refractivity70.01polarizability31.01rotatable_bond_count5acceptor_count10donor_count6physiological_charge0formal_charge0Specdb::CMs15820Specdb::CMs41331Specdb::CMs130409Specdb::CMs138143Specdb::NmrOneD158070Specdb::NmrOneD158071Specdb::NmrOneD158072Specdb::NmrOneD158073Specdb::NmrOneD158074Specdb::NmrOneD158075Specdb::NmrOneD158076Specdb::NmrOneD158077Specdb::NmrOneD158078Specdb::NmrOneD158079Specdb::NmrOneD158080Specdb::NmrOneD158081Specdb::NmrOneD158082Specdb::NmrOneD158083Specdb::NmrOneD158084Specdb::NmrOneD158085Specdb::NmrOneD158086Specdb::NmrOneD158087Specdb::NmrOneD158088Specdb::NmrOneD158089Specdb::MsMs13175Specdb::MsMs13176Specdb::MsMs13177Specdb::MsMs19847Specdb::MsMs19848Specdb::MsMs19849Specdb::MsMs2760485Specdb::MsMs2760486Specdb::MsMs2760487Specdb::MsMs2946015Specdb::MsMs2946016Specdb::MsMs2946017HMDB29404#<Reference:0x0000555675e6ceb0>Common peaType 1specificPisum sativum3888PulsesUnknowngeneric