CHEBI:27688 - 3-demethylubiquinone-8

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ChEBI Name 3-demethylubiquinone-8 ChEBI ID CHEBI:27688 Definition A polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-octaprenyl group at position 6. Stars This entity has been manually annotated by the ChEBI Team. Submitter Harold Drabkin Secondary ChEBI IDs CHEBI:1231, CHEBI:145733, CHEBI:19728 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H72O4 Net Charge 0 Average Mass 713.08288 Monoisotopic Mass 712.54306 InChI InChI=1S/C48H72O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+ InChIKey JCTZZCUQMAEFJG-WDXILIIOSA-N SMILES COC1=C(O)C(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O ChEBI Ontology Outgoing 3-demethylubiquinone-8 (CHEBI:27688) is a monohydroxy-1,4-benzoquinones (CHEBI:67273) 3-demethylubiquinone-8 (CHEBI:27688) is a polyprenylbenzoquinone (CHEBI:35795) 3-demethylubiquinone-8 (CHEBI:27688) is conjugate acid of 3-demethylubiquinone-8(1−) (CHEBI:231823) Incoming 3-demethylubiquinone-8(1−) (CHEBI:231823) is conjugate base of 3-demethylubiquinone-8 (CHEBI:27688) IUPAC Name 2-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione Synonyms Sources 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone KEGG COMPOUND 5-hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone ChEBI Manual Xrefs Databases C00019349 KNApSAcK C05815 KEGG COMPOUND View more database links Citations Types Sources 1479344 PubMed citation Europe PMC 195601 PubMed citation Europe PMC 4333375 PubMed citation Europe PMC 769831 PubMed citation Europe PMC 9139683 PubMed citation Europe PMC Last Modified 17 February 2020