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CHEBI:27688 - 3-demethylubiquinone-8

ChEBI IDCHEBI:27688
ChEBI Name3-demethylubiquinone-8
Stars
DefinitionA polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-octaprenyl group at position 6.
Secondary ChEBI IDsCHEBI:1231, CHEBI:19728, CHEBI:145733
Last Modified17 February 2020
Submitterhdrabkin
DownloadsMolfile
FormulaC48H72O4
Net Charge0
Average Mass713.100
Monoisotopic Mass712.54306
SMILESCOC1=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
InChIInChI=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+
InChIKeyJCTZZCUQMAEFJG-WDXILIIOSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinoneKEGG COMPOUND
5-hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinoneChEBI
Manual XrefsDatabases
C05815KEGG COMPOUND
C00019349KNApSAcK
Citations