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CHEBI:50774 - 2-decaprenyl-6-methoxyphenol

ChEBI IDCHEBI:50774
ChEBI Name2-decaprenyl-6-methoxyphenol
Stars
Last Modified29 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC57H88O2
Net Charge0
Average Mass805.329
Monoisotopic Mass804.67843
SMILESCOc1cccc(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
InChIInChI=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+
InChIKeyFYLLWSGFAAQKHU-GBBROCKZSA-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-methoxyphenol (CHEBI:50774) has role human metabolite (CHEBI:77746)
2-decaprenyl-6-methoxyphenol (CHEBI:50774) is a 2-methoxy-6-(all-trans-polyprenyl)phenol (CHEBI:62731)
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
UniProt Name  Source
2-methoxy-6-(all-trans-decaprenyl)phenolUniProt
Manual XrefsDatabases
HMDB0060250HMDB
Registry NumbersSources
Reaxys:3028575Reaxys