62950 <common-name>9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)-</common-name> <description>9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)- belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C21H40O3 and an average molecular weight of 340.55 g/mol.</description> <cas>71685-99-9</cas> <pubchem-id>6441802</pubchem-id> <chemical-formula>C21H40O3</chemical-formula> <weight>340.5</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">2026-04-02T22:49:43Z</created-at> <updated-at type="dateTime">2026-08-21T20:19:03Z</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>CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)OC(C)C</moldb-smiles> <moldb-formula>C21H40O3</moldb-formula> <moldb-inchi>InChI=1S/C21H40O3/c1-4-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19(2)3/h11,14,19-20,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1</moldb-inchi> <moldb-inchikey>SDYPTODXHIAHDF-KAMYIIQDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">340.548</moldb-average-mass> <moldb-mono-mass type="decimal">340.297745</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4945932</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>CHEM058843</chemdb-id> <dsstox-id>DTXSID60887970</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013789</susdat-id> <iupac>propan-2-yl (Z,12R)-12-hydroxyoctadec-9-enoate</iupac> <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>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0180551</sync-id> <structure-inchikey>SDYPTODXHIAHDF-HXUWFJFHSA-N</structure-inchikey> <structure-fingerprint>410000000000000204008000000000000000000000000000000000001000000000000010020000000000000000000000000040000000000000000000000000000000000000000000004100000010000000200000000003000000000010000000010000200100000000000000000000000000000000000000000000000000000000000000400000000000000000000100040000000000000000000000000010001000000000000000000800000020010000000000c8000040000000000000000000000008000000000000000000000000000000000000000000000010000000000000000000000000000000000000810400000000000000200000000000000200</structure-fingerprint> <structure-pattern-fingerprint>4000002001120e000800010001002000000000000005200000300040020000044002000000800000000041000080000004200084000c10010000643000a00000c6110000000000000080102000620100000400004001001240000422000009000c30000000400200000000004434000020008050000460041108000002100002504400080460800808020200880c000811140002444014020004080000408000004100000010c00000000840016525100ac00001080108000000000000400200000000840400000000800000010002000000000002004000090000000800000000000c00000000000000040000022004001000108042000c0000010050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`������ 4��������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������������������������������� � �� ������ � ����������������(��� ���������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:57Z</structure-indexed-at> </compound>