5755 <common-name>S-ALLYL-L-CYSTEINE</common-name> <description>S-ALLYL-L-CYSTEINE is an organic compound with the formula C6H11NO2S and an average molecular weight of 161.22 g/mol. S-ALLYL-L-CYSTEINE belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Industrially, the substance is utilized as a bleaching agent, as well as a flavouring and nutrient.</description> <cas>21593-77-1</cas> <pubchem-id>9793905</pubchem-id> <chemical-formula>C6H11NO2S</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T01:53:17Z</created-at> <updated-at type="dateTime">2026-04-06T14:03:37Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@](N)(CSCC=C)C(O)=O</moldb-smiles> <moldb-formula>C6H11NO2S</moldb-formula> <moldb-inchi>InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1</moldb-inchi> <moldb-inchikey>ZFAHNWWNDFHPOH-YFKPBYRVSA-N</moldb-inchikey> <moldb-average-mass type="decimal">161.22</moldb-average-mass> <moldb-mono-mass type="decimal">161.051049772</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM004650</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00127168</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>63.31999999999999</moldb-polar-surface-area> <moldb-refractivity>42.0865</moldb-refractivity> <moldb-polarizability>16.775686838490344</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>2.527322766689279</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.137281602027453</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.81</moldb-alogps-logp> <moldb-alogps-logs>-1.07</moldb-alogps-logs> <moldb-alogps-solubility>1.37e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">176</paper-count> <sync-id>CED0009687</sync-id> <structure-inchikey>ZFAHNWWNDFHPOH-YFKPBYRVSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800002000800000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000002000010008000000000000000000000000000008004000000040000000000000000000000000040000000000000000001000000000000000000000000000000000000000000000000200000000000000100000000000000001000000000000000000000080000000000000040020000000000000000000000000000000000000000000000840000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20800006008800000000002000000000000004000000200040000000044000000000800000000001000080000004200080000c00010000443000a0000080110000000000000000002000620100000000004000000200000020000009000c300000000002000000100050200000200080100104e004111800000010000200440000044000000c00000088000000100400024440000000040800000040004043000000004000000008000024001042c00200000008000000001000000000000000002440000000800200004000000000000000004000000000000800000000000c0000000000000004000000000000000000004000200000000050400002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACQAAAIABBiA0AAAAAQEEBwBgAAAA AQIGAGAAAAACAhAAIAAAAAIGAGAAAAACAgYAaAAAAAMDAQYAaAAAAAMCAgYA KAAAAAMECABoAAAAAwEBCAAoAAAAAwILAAEAAAIAAgMAAwQABAUABQYIAgAH AAcIIAcJKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:05Z</structure-indexed-at> </compound>