1.02010-04-08 22:05:54 UTC2019-11-26 02:59:30 UTCFDB003685S-AllylmercaptocysteineS-allylmercaptocysteine, also known as samc cpd, is a member of the class of compounds known as L-cysteine-s-conjugates. L-cysteine-s-conjugates are compounds containing L-cysteine where the thio-group is conjugated. S-allylmercaptocysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-allylmercaptocysteine can be found in soft-necked garlic, which makes S-allylmercaptocysteine a potential biomarker for the consumption of this food product. C6H11NO2S2193.287193.023119981(2R)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acid(2R)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acidN[C@@H](CSSCC=C)C(O)=OInChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1WYQZZUUUOXNSCS-YFKPBYRVSA-N belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated.L-cysteine-S-conjugatesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAllyl sulfur compoundsAmino acidsCarbonyl compoundsCarboxylic acidsDialkyldisulfidesHydrocarbon derivativesL-alpha-amino acidsMonoalkylaminesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsSulfenyl compoundsAliphatic acyclic compoundAllyl sulfur compoundAlpha-amino acidAmineAmino acidCarbonyl groupCarboxylic acidDialkyldisulfideHydrocarbon derivativeL-alpha-amino acidL-cysteine-s-conjugateMonocarboxylic acid or derivativesOrganic disulfideOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundPrimary aliphatic aminePrimary amineSulfenyl compoundlogp-1.78logs-1.89solubility2.48e+00 g/llogp-1.6pka_strongest_acidic2.26pka_strongest_basic9.04iupac(2R)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acidaverage_mass193.287mono_mass193.023119981smilesN[C@@H](CSSCC=C)C(O)=OformulaC6H11NO2S2inchiInChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1inchikeyWYQZZUUUOXNSCS-YFKPBYRVSA-Npolar_surface_area63.32refractivity50.14polarizability19.42rotatable_bond_count6acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::MsMs89055Specdb::MsMs89056Specdb::MsMs89057Specdb::MsMs151902Specdb::MsMs151903Specdb::MsMs151904Specdb::MsMs3599393Specdb::MsMs3599394Specdb::MsMs3599395Specdb::MsMs3599396Specdb::MsMs3599397Specdb::MsMs3599398Soft-necked garlicType 1specificAllium sativum L. var. sativum46820.20.20.2mg/100 ganti cancer159A substance that inhibits or prevents the proliferation of neoplasms.anti hepatotoxic328Any compound that is able to prevent damage to the liver.anti leukemic393A substance that inhibits or prevents the proliferation of neoplasms.anti proliferant547anti prostate-specific-antigen559anti staphylococcic627A substance that kills or slows the growth of bacteria.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.antitumor672A substance that inhibits or prevents the proliferation of neoplasms.apoptotic704hepatoprotective981Any compound that is able to prevent damage to the liver.