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

ChEBI IDCHEBI:50773
ChEBI Name2-decaprenyl-6-methoxy-1,4-benzoquinone
Stars
Last Modified16 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC57H86O3
Net Charge0
Average Mass819.312
Monoisotopic Mass818.65770
SMILESCOC1=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
InChIInChI=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+
InChIKeyPOYJNCVGTDCCPK-RDSVHMIISA-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)
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 2-methoxy-6-all-trans-polyprenyl-1,4-benzoquinone (CHEBI:231819)
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-dioneChEBI
UniProt Name  Source
2-methoxy-6-all-trans-decaprenyl-1,4-benzoquinoneUniProt
Registry NumbersSources
Beilstein:2688027Beilstein