36539 <common-name>Cystathionine sulfoxide</common-name> <description>Cystathionine sulfoxide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C7H14N2O5S and an average molecular weight of 238.26 g/mol.</description> <cas>54927-81-0</cas> <pubchem-id nil="true"/> <chemical-formula>C7H14N2O5S</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">2016-05-26T05:45:58Z</created-at> <updated-at type="dateTime">2026-04-06T11:57:52Z</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>N[C@@H](CCS(=O)C[C@H](N)C(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C7H14N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C7H14N2O5S/c8-4(6(10)11)1-2-15(14)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-,15?/m0/s1</moldb-inchi> <moldb-inchikey>JNUGGJHCMRWUDV-FMMPLYQGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.261</moldb-average-mass> <moldb-mono-mass type="decimal">238.062342258</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>CHEM035434</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122583</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>143.70999999999998</moldb-polar-surface-area> <moldb-refractivity>53.20500000000001</moldb-refractivity> <moldb-polarizability>22.812631619771928</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>1.3336077563224649</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.198622559762587</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-4.16</moldb-alogps-logp> <moldb-alogps-logs>-0.77</moldb-alogps-logs> <moldb-alogps-solubility>4.06e+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">11</paper-count> <sync-id>CED0034882</sync-id> <structure-inchikey>JNUGGJHCMRWUDV-FMMPLYQGSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800800000000000000000000000000000000000000000001000000000000000000000000002014000000001000000020000000000000000000000000000000000000000000000020000000000000000000001000004000002000010000000000000020000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000404000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000840000000000000000400000000000000000000000000000000</structure-fingerprint> 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type="dateTime">2026-09-19T04:11:05Z</structure-indexed-at> </compound>