1.02010-04-08 22:09:53 UTC2019-11-26 03:05:41 UTCFDB011894L-AgaritineConstituent of some members of the family Agaricaceae, notably Agaricus bisporus (button mushroom). L-Agaritine is found in mushrooms.Agaritine; L-formC12H17N3O4267.2811267.1219060472-amino-4-{N'-[4-(hydroxymethyl)phenyl]hydrazinecarbonyl}butanoic acidagaritine328-39-2NC(CCC(=O)NNC1=CC=C(CO)C=C1)C(O)=OInChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)SRSPQXBFDCGXIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.Glutamine and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic homomonocyclic compoundsAlpha amino acidsAmino acidsAromatic alcoholsBenzyl alcoholsCarbonyl compoundsCarboxylic acid hydrazidesCarboxylic acidsHydrocarbon derivativesMonoalkylaminesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsPhenylhydrazinesPrimary alcoholsAlcoholAlpha-amino acidAmineAmino acidAromatic alcoholAromatic homomonocyclic compoundBenzenoidBenzyl alcoholCarbonyl groupCarboxylic acidCarboxylic acid hydrazideGlutamine or derivativesHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenylhydrazinePrimary alcoholPrimary aliphatic aminePrimary aminelogp-1.28logs-2.31solubility1.30e+00 g/lmelting_pointMp 205-209° dec.logp-2.7pka_strongest_acidic2.01pka_strongest_basic9.31iupac2-amino-4-{N'-[4-(hydroxymethyl)phenyl]hydrazinecarbonyl}butanoic acidaverage_mass267.2811mono_mass267.121906047smilesNC(CCC(=O)NNC1=CC=C(CO)C=C1)C(O)=OformulaC12H17N3O4inchiInChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)inchikeySRSPQXBFDCGXIZ-UHFFFAOYSA-Npolar_surface_area124.68refractivity69.61polarizability27.35rotatable_bond_count7acceptor_count6donor_count5physiological_charge0formal_charge0Specdb::CMs23940Specdb::CMs43486Specdb::CMs118586Specdb::CMs154726Specdb::CMs839121Specdb::CMs839122Specdb::CMs839123Specdb::CMs839124Specdb::CMs839125Specdb::CMs839126Specdb::CMs839127Specdb::CMs839128Specdb::CMs839129Specdb::CMs839130Specdb::CMs839131Specdb::CMs839132Specdb::CMs839133Specdb::CMs839134Specdb::CMs839135Specdb::CMs839136Specdb::CMs839137Specdb::CMs839138Specdb::CMs839139Specdb::CMs839140Specdb::CMs839141Specdb::NmrOneD122078Specdb::NmrOneD122079Specdb::NmrOneD122080Specdb::NmrOneD122081Specdb::NmrOneD122082Specdb::NmrOneD122083Specdb::NmrOneD122084Specdb::NmrOneD122085Specdb::NmrOneD122086Specdb::NmrOneD122087Specdb::NmrOneD122088Specdb::NmrOneD122089Specdb::NmrOneD122090Specdb::NmrOneD122091Specdb::NmrOneD122092Specdb::NmrOneD122093Specdb::NmrOneD122094Specdb::NmrOneD122095Specdb::NmrOneD122096Specdb::NmrOneD122097Specdb::MsMs73947Specdb::MsMs73948Specdb::MsMs73949Specdb::MsMs133209Specdb::MsMs133210Specdb::MsMs133211Specdb::MsMs2791124Specdb::MsMs2791125Specdb::MsMs2791126Specdb::MsMs2914493Specdb::MsMs2914494Specdb::MsMs2914495HMDB33758#<Reference:0x00005556763ecca0>Common mushroomType 1specificAgaricus bisporus5341MushroomsUnknowngenericOyster mushroomType 1specificPleurotus ostreatus5322