CHEBI:50773 - 2-decaprenyl-6-methoxy-1,4-benzoquinone

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ChEBI Name 2-decaprenyl-6-methoxy-1,4-benzoquinone
ChEBI ID CHEBI:50773
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C57H86O3
Net Charge 0
Average Mass 819.29094
Monoisotopic Mass 818.65770
InChI InChI=1S/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+
InChIKey POYJNCVGTDCCPK-RDSVHMIISA-N
SMILES COC1=CC(=O)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-6-methoxy-1,4-benzoquinone (CHEBI:50773) has role human metabolite (CHEBI:77746)
2-decaprenyl-6-methoxy-1,4-benzoquinone (CHEBI:50773) is a polyprenylbenzoquinone (CHEBI:35795)
Synonym Source
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]-6-methoxycyclohexa-2,5-diene-1,4-dione ChEBI
Registry Number Type Source
2688027 Beilstein Registry Number Beilstein
Last Modified
10 March 2014