1.02010-04-08 22:04:36 UTC2020-02-24 19:10:08 UTCFDB000523O-AcetylhomoserineFound in green tissues of pea (Pisum sativum)4-Acetoxy-2-aminobutanoic acidHomoserine acetateO-Acetyl-L-homoserineO-AcetylhomoserineC6H11NO4161.1558161.0688078454-(acetyloxy)-2-aminobutanoic acidO-acetylhomoserine7540-67-2CC(=O)OCCC(N)C(O)=OInChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)FCXZBWSIAGGPCB-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).Alpha amino acidsOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAmino acidsCarbonyl compoundsCarboxylic acid estersCarboxylic acidsDicarboxylic acids and derivativesFatty acids and conjugatesHydrocarbon derivativesMonoalkylaminesOrganic oxidesOrganopnictogen compoundsAliphatic acyclic compoundAlpha-amino acidAmineAmino acidCarbonyl groupCarboxylic acidCarboxylic acid esterDicarboxylic acid or derivativesFatty acidHydrocarbon derivativeOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary aliphatic aminePrimary amineacetate esternon-proteinogenic alpha-amino acidlogp-2.87logs-0.28solubility8.39e+01 g/lmelting_pointMp 200°logp-3.4pka_strongest_acidic2.02pka_strongest_basic9.46iupac4-(acetyloxy)-2-aminobutanoic acidaverage_mass161.1558mono_mass161.068807845smilesCC(=O)OCCC(N)C(O)=OformulaC6H11NO4inchiInChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)inchikeyFCXZBWSIAGGPCB-UHFFFAOYSA-Npolar_surface_area89.62refractivity36.06polarizability15.54rotatable_bond_count5acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::MsIr3431Specdb::MsIr3432Specdb::MsIr3433Specdb::CMs2483Specdb::CMs41345Specdb::CMs125200Specdb::CMs133740Specdb::CMs141474Specdb::CMs952291Specdb::CMs952292Specdb::CMs952293Specdb::NmrOneD15502Specdb::NmrOneD15503Specdb::NmrOneD15504Specdb::NmrOneD15505Specdb::NmrOneD15506Specdb::NmrOneD15507Specdb::NmrOneD15508Specdb::NmrOneD15509Specdb::NmrOneD15510Specdb::NmrOneD15511Specdb::NmrOneD15512Specdb::NmrOneD15513Specdb::NmrOneD15514Specdb::NmrOneD15515Specdb::NmrOneD15516Specdb::NmrOneD15517Specdb::NmrOneD15518Specdb::NmrOneD15519Specdb::NmrOneD15520Specdb::NmrOneD15521Specdb::MsMs56193Specdb::MsMs56194Specdb::MsMs56195Specdb::MsMs111558Specdb::MsMs111559Specdb::MsMs111560Specdb::MsMs2357724Specdb::MsMs2357725Specdb::MsMs2357726Specdb::MsMs2603972Specdb::MsMs2603973Specdb::MsMs2603974Common peaType 1specificPisum sativum388843.343.343.3mg/100 gMilk (Cow)Type 2specificPulsesUnknowngeneric