88486 <common-name>3,12-Dioxo-5-ß-cholan-24-oic acid</common-name> <description>3,12-Dioxo-5-ß-cholan-24-oic acid belongs to the bile acids, alcohols and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. It has the chemical formula C24H36O4 and an average molecular weight of 388.55 g/mol. It is classified under the superclass of lipids and lipid-like molecules.</description> <cas nil="true"/> <pubchem-id>543972</pubchem-id> <chemical-formula>C24H36O4</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">2026-04-04T22:56:28Z</created-at> <updated-at type="dateTime">2026-04-04T22:56:28Z</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>C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C</moldb-smiles> <moldb-formula>C24H36O4</moldb-formula> <moldb-inchi>InChI=1/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)</moldb-inchi> <moldb-inchikey>XNTYYYINMGRBQW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">388.548</moldb-average-mass> <moldb-mono-mass type="decimal">388.2613596</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>CHEM084379</chemdb-id> <dsstox-id>DTXSID70183753</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049228</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>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Bile acids, alcohols and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0150045</sync-id> <structure-inchikey>XNTYYYINMGRBQW-ZEZONBOOSA-N</structure-inchikey> <structure-fingerprint>40800004200000001800800000000000000080000000000000000000410010000000001000000020000000000000000004000000000000000000000800000000012080000000200000000000000200000020000000000000000000001000000000000000010000000000000000000000000000020000001000000000000000100000000048000000010001000000000000200000000000000000000000000020010000000004000000400000080000000000000000008000040000000800000000000008000000000000000000001000000000040000000000600000000000080040800000000001000000000000000400000000000000080000000000000000</structure-fingerprint> 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