CHEBI:28753 - 3-demethylubiquinone-6

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ChEBI Name 3-demethylubiquinone-6
ChEBI ID CHEBI:28753
Definition A polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-hexaprenyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Harold Drabkin
Secondary ChEBI IDs CHEBI:19588, CHEBI:1105, CHEBI:145732
Supplier Information
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Formula C38H56O4
Net Charge 0
Average Mass 576.84884
Monoisotopic Mass 576.41786
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
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
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 Sources
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 Xref Database
C05805 KEGG COMPOUND
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Last Modified
14 February 2020