26552 <common-name>9,10-Dihydroxystearic acid</common-name> <description>9,10-Dihydroxystearic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C18H36O4 and an average molecular weight of 316.48 g/mol.</description> <cas>120-87-6</cas> <pubchem-id>89377</pubchem-id> <chemical-formula>C18H36O4</chemical-formula> <weight>316.5</weight> <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">2016-05-25T22:24:24Z</created-at> <updated-at type="dateTime">2026-04-16T22:23:30Z</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>CCCCCCCCC(O)C(O)CCCCCCCC(O)=O</moldb-smiles> <moldb-formula>C18H36O4</moldb-formula> <moldb-inchi>InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)</moldb-inchi> <moldb-inchikey>VACHUYIREGFMSP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">316.482</moldb-average-mass> <moldb-mono-mass type="decimal">316.261359639</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>80658</chemspider-id> <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>CHEM025447</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010583</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>77.76</moldb-polar-surface-area> <moldb-refractivity>89.3166</moldb-refractivity> <moldb-polarizability>39.78884256408016</moldb-polarizability> <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>4.615325350944831</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.1440192571762076</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>5.27</moldb-alogps-logp> <moldb-alogps-logs>-3.83</moldb-alogps-logs> <moldb-alogps-solubility>4.66e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer">82</paper-count> <sync-id>CED0020267</sync-id> <structure-inchikey>VACHUYIREGFMSP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000100000000000000002000000000000000000000004000004000000000000000000000000000000000000000000010000000000000020000000000000000000001000000000000020010000000000000000000080000000000000000000000000000000000000000040000000000002000000010000000000000000000000000000001000110000000000000000000000000000000000000008000000000000000000000000000008000000000000000000000000000000000000000000400000004000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000020010206000800010001002000000000000005200000300040020000044002000000800000000041000080000004200084008c10010000643000a00000c6110000000000000080102000620100000400004000003240000422000009000c20000000400200000000004430000020008050000460041108000002100002404400080460800808020200880c000811140002444014020004080000400000004100000010c00000000840016c25100ac0000108010800000000000040020000000084040000000080000001010200000000000200400009000000080000000000080000000000000000000000200400100010804080040000010050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������h��������(������������������������������� �� � �� ��� � ������������������� ��(�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:09:50Z</structure-indexed-at> </compound>