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CHEBI:61683 - ubiquinone-8

ChEBI IDCHEBI:61683
ChEBI Nameubiquinone-8
Stars
DefinitionA ubiquinone whose structure comprises a 2,3-dimethoxy-5-methylbenzoquinone nucleus (common to all ubiquinones) and a side chain of eight isoprenoid units.
Last Modified3 August 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC49H74O4
Net Charge0
Average Mass727.127
Monoisotopic Mass726.55871
SMILESCOC1=C(OC)C(=O)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)=C(C)C1=O
InChIInChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
InChIKeyICFIZJQGJAJRSU-SGHXUWJISA-N
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
ubiquinone-8 (CHEBI:61683) has role biomarker (CHEBI:59163)
ubiquinone-8 (CHEBI:61683) is a ubiquinones (CHEBI:16389)
IUPAC Name 
2,3-dimethoxy-5-methyl-6-[(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]-1,4-benzoquinone
Synonyms  Source
Coenzyme-Q8SUBMITTER
ubiquinone(8)ChEBI
coenzyme-Q8ChEBI
Coenzyme Q8ChemIDplus
Ubiquinone 8ChemIDplus
COQ8ChemIDplus
UniProt Name  Source
ubiquinone-8UniProt
Manual XrefsDatabases
UBIQUINONE-8MetaCyc
UQ8PDBeChem
C17569KEGG COMPOUND
Registry NumbersSources
CAS:2394-68-5ChemIDplus
CAS:2394-68-5KEGG COMPOUND