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

ChEBI IDCHEBI:50772
ChEBI Name2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
Stars
DefinitionA polyprenylbenzoquinone that is 2-decaprenyl-1,4-benzoquinone carrying additional methyl and methoxy substituents at positions 3 and 6 respectively.
Last Modified29 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC58H88O3
Net Charge0
Average Mass833.339
Monoisotopic Mass832.67335
SMILESCOC1=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
InChIInChI=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+
InChIKeyDLBRMPAESNEOJM-RGIWONJESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 2-methoxy-5-methyl-6-all-trans-polyprenylbenzoquinone (CHEBI:231829)
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  Source
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-benzoquinoneIUPAC
5-demethoxyubiquinone-10ChEBI
UniProt Name  Source
2-methoxy-5-methyl-6-all-trans-decaprenyl-1,4-benzoquinoneUniProt
Manual XrefsDatabases
LMPR02010032LIPID MAPS
CPD-11660MetaCyc
HMDB0060251HMDB
Registry NumbersSources
Reaxys:3079996Reaxys
Citations