CHEBI:50771 - 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone

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ChEBI Name 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone
ChEBI ID CHEBI:50771
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C58H88O4
Net Charge 0
Average Mass 849.31692
Monoisotopic Mass 848.66826
InChI InChI=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+
InChIKey ONGWDJKIJUAIOD-AVRCVIBKSA-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)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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone (CHEBI:50771) has role human metabolite (CHEBI:77746)
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone (CHEBI:50771) is a polyprenylbenzoquinone (CHEBI:35795)
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
Registry Number Type Source
3117275 Beilstein Registry Number Beilstein
Last Modified
10 March 2014