36644 <common-name>Homocitric acid</common-name> <description>Homocitric acid belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C7H10O7 and an average molecular weight of 206.15 g/mol.</description> <cas>3562-74-1</cas> <pubchem-id nil="true"/> <chemical-formula>C7H10O7</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">2016-05-26T05:52:08Z</created-at> <updated-at type="dateTime">2026-04-06T13:50:12Z</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>OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O</moldb-smiles> <moldb-formula>C7H10O7</moldb-formula> <moldb-inchi>InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1</moldb-inchi> <moldb-inchikey>XKJVEVRQMLKSMO-SSDOTTSWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.1501</moldb-average-mass> <moldb-mono-mass type="decimal">206.042652674</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>CHEM035539</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00126640</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>132.13</moldb-polar-surface-area> <moldb-refractivity>40.37890000000001</moldb-refractivity> <moldb-polarizability>17.44345390081851</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>3.086703991163821</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.0751445556736625</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.50</moldb-alogps-logp> <moldb-alogps-logs>-0.03</moldb-alogps-logs> <moldb-alogps-solubility>1.91e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Tricarboxylic acids and derivatives</subklass> <paper-count type="integer">106</paper-count> <sync-id>CED0018658</sync-id> <structure-inchikey>XKJVEVRQMLKSMO-SSDOTTSWSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000000000000000000000000000808000000000000000000004000000000000000000000000000000000000080000000000000000000000000020000000000000008000000000000000000000010000000000000000000000000000000000000000000000000000000000000004000000000000000000400000000000000000000000000000000000010100080000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000400000000000000000000000000000000008000000080400000000000000400000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���h��������(�������(�������`�������`������ $�������`�������`�������(�������h��������(�������(�������h��������(�������� ��(�������������������� � (������ � (�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:07Z</structure-indexed-at> </compound>