CHEBI:18160 - ubiquinone-9

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ubiquinone-9
ChEBI ID CHEBI:18160
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15280, CHEBI:9855, CHEBI:27185
Supplier Information
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Formula C54H82O4
Net Charge 0
Average Mass 795.22650
Monoisotopic Mass 794.62131
InChI InChI=1S/C54H82O4/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/h22,24,26,28,30,32,34,36,38H,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+
InChIKey UUGXJSBPSRROMU-WJNLUYJISA-N
SMILES COC1=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)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via ubiquinones )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via ubiquinones )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ubiquinone-9 (CHEBI:18160) has role antioxidant (CHEBI:22586)
ubiquinone-9 (CHEBI:18160) has role human metabolite (CHEBI:77746)
ubiquinone-9 (CHEBI:18160) is a ubiquinones (CHEBI:16389)
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]cyclohexa-2,5-diene-1,4-dione
Synonyms Sources
(all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione ChemIDplus
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]-1,4-benzoquinone ChEBI
coenzyme Q9 ChemIDplus
CoQ9 ChemIDplus
Ubiquinone-45 KEGG COMPOUND
Ubiquinone-9 KEGG COMPOUND
ubiquinone-9 UniProt
Manual Xrefs Databases
C00007442 KNApSAcK
C01967 KEGG COMPOUND
LMPR02010004 LIPID MAPS
View more database links
Registry Numbers Types Sources
1900081 Beilstein Registry Number ChemIDplus
303-97-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
12853115 PubMed citation Europe PMC
Last Modified
23 October 2015