CHEBI:50774 - 2-decaprenyl-6-methoxyphenol

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ChEBI Name 2-decaprenyl-6-methoxyphenol
ChEBI ID CHEBI:50774
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C57H88O2
Net Charge 0
Average Mass 805.30742
Monoisotopic Mass 804.67843
InChI InChI=1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+
InChIKey FYLLWSGFAAQKHU-GBBROCKZSA-N
SMILES COc1cccc(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)c1O
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-decaprenyl-6-methoxyphenol (CHEBI:50774) has role human metabolite (CHEBI:77746)
2-decaprenyl-6-methoxyphenol (CHEBI:50774) is a aromatic ether (CHEBI:35618)
2-decaprenyl-6-methoxyphenol (CHEBI:50774) is a phenols (CHEBI:33853)
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]-6-methoxyphenol
Synonym Source
2-methoxy-6-(all-trans-decaprenyl)phenol UniProt
Manual Xref Database
HMDB0060250 HMDB
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Registry Numbers Types Sources
3028575 Reaxys Registry Number Reaxys
3028575 Beilstein Registry Number Beilstein
Last Modified
27 January 2015