CHEBI:50772 - 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone

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ChEBI Name 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
ChEBI ID CHEBI:50772
Definition A polyprenylbenzoquinone that is 2-decaprenyl-1,4-benzoquinone carrying additional methyl and methoxy substituents at positions 3 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C58H88O3
Net Charge 0
Average Mass 833.31752
Monoisotopic Mass 832.67335
InChI InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
InChIKey DLBRMPAESNEOJM-RGIWONJESA-N
SMILES COC1=CC(=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)CC\C=C(/C)CCC=C(C)C)C1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (CHEBI:50772) has role bacterial metabolite (CHEBI:76969)
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (CHEBI:50772) has role human metabolite (CHEBI:77746)
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone (CHEBI:50772) is a polyprenylbenzoquinone (CHEBI:35795)
IUPAC Name
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Synonyms Sources
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methyl-1,4-benzoquinone IUPAC
5-demethoxyubiquinone-10 ChEBI
Manual Xrefs Databases
CPD-11660 MetaCyc
HMDB0060251 HMDB
LMPR02010032 LIPID MAPS
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Registry Numbers Types Sources
3079996 Reaxys Registry Number Reaxys
3079996 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
5166547 PubMed citation Europe PMC
Last Modified
15 January 2015