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CHEBI:50771 - 3-demethylubiquinone-10

ChEBI IDCHEBI:50771
ChEBI Name3-demethylubiquinone-10
Stars
DefinitionA polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-decaprenyl group at position 6.
Secondary ChEBI IDCHEBI:145734
Last Modified13 February 2020
Submitterhdrabkin, Kirill Degtyarenko
DownloadsMolfile
FormulaC58H88O4
Net Charge0
Average Mass849.338
Monoisotopic Mass848.66826
SMILESCOC1=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)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O
InChIInChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+
InChIKeyONGWDJKIJUAIOD-AVRCVIBKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-demethylubiquinone-10 (CHEBI:50771) has role human metabolite (CHEBI:77746)
3-demethylubiquinone-10 (CHEBI:50771) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
3-demethylubiquinone-10 (CHEBI:50771) is a polyprenylbenzoquinone (CHEBI:35795)
3-demethylubiquinone-10 (CHEBI:50771) is conjugate acid of 3-demethylubiquinone-10(1−) (CHEBI:231824)
Incoming Relation(s)
3-demethylubiquinone-10(1−) (CHEBI:231824) is conjugate base of 3-demethylubiquinone-10 (CHEBI:50771)
IUPAC Name 
2-[(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-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinoneLIPID MAPS
2-(all-trans-decaprenyl)-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dioneChEBI
Manual XrefsDatabases
LMPR02010031LIPID MAPS
Registry NumbersSources
Reaxys:3117275Reaxys