3-demethylubiquinone-6 (CHEBI:28753)

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CHEBI:28753 - 3-demethylubiquinone-6

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ChEBI ID	CHEBI:28753
ChEBI Name	3-demethylubiquinone-6
Stars
Definition	A polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-hexaprenyl group at position 6.
Secondary ChEBI IDs	CHEBI:1105, CHEBI:19588, CHEBI:145732
Last Modified	14 February 2020
Submitter	hdrabkin
Downloads	Molfile

Formula	C38H56O4
Net Charge	0
Average Mass	576.862
Monoisotopic Mass	576.41786
SMILES	COC1=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)CCC=C(C)C)C1=O
InChI	InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+
InChIKey	YPBJTTYNKXYYKL-HGJBZHBGSA-N

Species of Metabolite	Component	Source	Comments
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	3-demethylubiquinone-6 (CHEBI:28753) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	3-demethylubiquinone-6 (CHEBI:28753) has role mouse metabolite (CHEBI:75771)
	3-demethylubiquinone-6 (CHEBI:28753) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
	3-demethylubiquinone-6 (CHEBI:28753) is a polyprenylbenzoquinone (CHEBI:35795)
	3-demethylubiquinone-6 (CHEBI:28753) is conjugate acid of 3-demethylubiquinone-6(1−) (CHEBI:231821)
Incoming Relation(s)
Incoming Relation(s)	3-demethylubiquinone-6(1−) (CHEBI:231821) is conjugate base of 3-demethylubiquinone-6 (CHEBI:28753)

IUPAC Names
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Synonyms	Source
2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	KEGG COMPOUND
2-hexaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone	ChEBI

Manual Xrefs	Databases
C05805	KEGG COMPOUND