36445 <common-name>4-cis-Decenoyl-CoA</common-name> <description>4-cis-Decenoyl-CoA belongs to the fatty acyl thioesters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C31H52N7O17P3S. With an average molecular weight of 919.77 g/mol, 4-cis-Decenoyl-CoA is a heavy molecule. It is classified within the superclass of lipids and lipid-like molecules.</description> <cas>69281-30-7</cas> <pubchem-id nil="true"/> <chemical-formula>C31H52N7O17P3S</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">2016-05-26T05:40:31Z</created-at> <updated-at type="dateTime">2026-04-06T12:53:54Z</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>CCCCC\C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12</moldb-smiles> <moldb-formula>C31H52N7O17P3S</moldb-formula> <moldb-inchi>InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8+/t20-,24-,25-,26+,30-/m1/s1</moldb-inchi> <moldb-inchikey>QTOYQSMKQWCWOX-CCVVLBLYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">919.768</moldb-average-mass> <moldb-mono-mass type="decimal">919.235323499</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>CHEM035340</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124812</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>363.6299999999999</moldb-polar-surface-area> <moldb-refractivity>210.15850000000006</moldb-refractivity> <moldb-polarizability>86.61482969021034</moldb-polarizability> <moldb-rotatable-bond-count>27</moldb-rotatable-bond-count> <moldb-acceptor-count>17</moldb-acceptor-count> <moldb-donor-count>9</moldb-donor-count> <moldb-pka-strongest-acidic>0.8252479627216065</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.946047024039826</moldb-pka-strongest-basic> <moldb-physiological-charge>-4</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>0.96</moldb-alogps-logp> <moldb-alogps-logs>-2.52</moldb-alogps-logs> <moldb-alogps-solubility>2.79e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acyl thioesters</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0047521</sync-id> <structure-inchikey>QTOYQSMKQWCWOX-CCVVLBLYSA-N</structure-inchikey> 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