1.02010-04-08 22:04:36 UTC2020-02-24 19:10:08 UTCFDB000512CycloalliinConstituent of onion (Allium cepa). Cycloalliin is found in many foods, some of which are wild leek, garden onion, onion-family vegetables, and soft-necked garlic.3-Methyl-1,4-thiazane-5-carboxylic acid-1-oxide5-Methyl-3-thiomorpholinecarboxylic acid 1-oxide, 9CICycloallinC6H11NO3S177.221177.0459639135-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid455-41-4CC1CS(=O)CC(N1)C(O)=OInChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)JYMHODZXTIGVPA-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 heteromonocyclic compoundsAmino acidsAzacyclic compoundsCarbonyl compoundsCarboxylic acidsDialkylaminesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganopnictogen compoundsSulfinyl compoundsSulfoxidesThiomorpholine carboxylic acids and derivatives1,4-thiazinaneAliphatic heteromonocyclic compoundAlpha-amino acidAmineAmino acidAzacycleCarbonyl groupCarboxylic acidHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundSecondary aliphatic amineSecondary amineSulfinyl compoundSulfoxideThiomorpholine-3-carboxylic acidlogp-1.91logs-0.53solubility5.23e+01 g/llogp-4pka_strongest_acidic1.26pka_strongest_basic7.79iupac5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acidaverage_mass177.221mono_mass177.045963913smilesCC1CS(=O)CC(N1)C(O)=OformulaC6H11NO3SinchiInChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)inchikeyJYMHODZXTIGVPA-UHFFFAOYSA-Npolar_surface_area66.4refractivity41.89polarizability17.07rotatable_bond_count1acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::NmrOneD15462Specdb::NmrOneD15463Specdb::NmrOneD15464Specdb::NmrOneD15465Specdb::NmrOneD15466Specdb::NmrOneD15467Specdb::NmrOneD15468Specdb::NmrOneD15469Specdb::NmrOneD15470Specdb::NmrOneD15471Specdb::NmrOneD15472Specdb::NmrOneD15473Specdb::NmrOneD15474Specdb::NmrOneD15475Specdb::NmrOneD15476Specdb::NmrOneD15477Specdb::NmrOneD15478Specdb::NmrOneD15479Specdb::NmrOneD15480Specdb::NmrOneD15481Specdb::CMs22995Specdb::CMs41340Specdb::CMs118467Specdb::CMs150496Specdb::CMs866865Specdb::CMs866866Specdb::CMs866867Specdb::MsMs46644Specdb::MsMs46645Specdb::MsMs46646Specdb::MsMs149868Specdb::MsMs149869Specdb::MsMs149870Specdb::MsMs2666512Specdb::MsMs2666513Specdb::MsMs2666514Specdb::MsMs3012845Specdb::MsMs3012846Specdb::MsMs3012847HMDB29417#<Reference:0x0000555675fb3aa8>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Soft-necked garlicType 1specificAllium sativum L. var. sativum4682Welsh onionType 1specificAllium fistulosum35875Wild leekType 1specificAllium ampeloprasum4681anti aggregant94fibrinolytic932lachrymatory1061