104078 <common-name>Alpha-sulfophenylacetic acid</common-name> <description>Alpha-sulfophenylacetic acid is an organic compound with the formula C8H8O5S and an average molecular weight of 216.21 g/mol. Alpha-sulfophenylacetic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an inhibitor of Proto-oncogene tyrosine-protein kinase Src (SRC).</description> <cas nil="true"/> <pubchem-id>447536</pubchem-id> <chemical-formula>C8H8O5S</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">2026-04-05T11:24:29Z</created-at> <updated-at type="dateTime">2026-04-13T21:10:49Z</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>DB01866</drugbank-id> <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>OC(=O)C(C1=CC=CC=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C8H8O5S</moldb-formula> <moldb-inchi>InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1</moldb-inchi> <moldb-inchikey>USNMCXDGQQVYSW-SSDOTTSWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.21</moldb-average-mass> <moldb-mono-mass type="decimal">216.0092444</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>CHEM099971</chemdb-id> <dsstox-id>DTXSID30328744</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00068725</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">10</paper-count> <sync-id>CED0035559</sync-id> <structure-inchikey>USNMCXDGQQVYSW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000800000000000000000000020000000004000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000800002000020000000000000000100000000000000000000000000000000000000000400080000000000000000000000080000000000000000008000000400000000000000000000000000000000000800000200000000000000000000000800000040000000000400000000000000001000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h��������(�������(�������`������@(������@h�������@h�������@h�������@h�������@h�������� ������`�������(�������(�������� ��(���������h���h���h���h�� h�� � �� ��� �� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:22Z</structure-indexed-at> </compound>