ubiquinone-9 (CHEBI:18160)

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CHEBI:18160 - ubiquinone-9

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ChEBI ID	CHEBI:18160
ChEBI Name	ubiquinone-9
Stars
Secondary ChEBI IDs	CHEBI:9855, CHEBI:15280, CHEBI:27185
Last Modified	23 October 2015
Downloads	Molfile

Formula	C54H82O4
Net Charge	0
Average Mass	795.246
Monoisotopic Mass	794.62131
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
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

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	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. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	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	Source
Ubiquinone-9	KEGG COMPOUND
Ubiquinone-45	KEGG COMPOUND
(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
coenzyme Q₉	ChemIDplus
CoQ₉	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

UniProt Name	Source
ubiquinone-9	UniProt

Manual Xrefs	Databases
C01967	KEGG COMPOUND
LMPR02010004	LIPID MAPS
C00007442	KNApSAcK

Registry Numbers	Sources
Beilstein:1900081	Beilstein
CAS:303-97-9	KEGG COMPOUND
CAS:303-97-9	ChemIDplus

Citations