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CHEBI:84424 - ubiquinol-9

ChEBI IDCHEBI:84424
ChEBI Nameubiquinol-9
Stars
DefinitionA ubiquinol in which the polyprenyl substituent is nonaprenyl.
Last Modified2 March 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC54H84O4
Net Charge0
Average Mass797.262
Monoisotopic Mass796.63696
SMILESCOc1c(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)CC/C=C(\C)CCC=C(C)C)c(O)c1OC
InChIInChI=1S/C54H84O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38,55-56H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+
InChIKeyNPCOQXAVBJJZBQ-WJNLUYJISA-N
Roles Classification
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
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).
ChEBI Ontology
Outgoing Relation(s)
ubiquinol-9 (CHEBI:84424) has role mammalian metabolite (CHEBI:75768)
ubiquinol-9 (CHEBI:84424) is a polyprenylhydroquinone (CHEBI:26253)
ubiquinol-9 (CHEBI:84424) is a ubiquinol (CHEBI:17976)
IUPAC Name 
2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol
UniProt Name  Source
ubiquinol-9UniProt
Manual XrefsDatabases
CPD-9957MetaCyc
Citations