EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:1109 - 2-hexaprenyl-6-methoxyphenol

ChEBI IDCHEBI:1109
ChEBI Name2-hexaprenyl-6-methoxyphenol
Stars
DefinitionA monomethoxybenzene that is 6-methoxyphenol substituted by a (all-trans)-hexaprenyl group at position 2.
Last Modified7 April 2017
DownloadsMolfile
FormulaC37H56O2
Net Charge0
Average Mass532.853
Monoisotopic Mass532.42803
SMILESCOc1cccc(C/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/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+
InChIKeyWVPRAWNIVDFQBO-DUBIXASGSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-hexaprenyl-6-methoxyphenol (CHEBI:1109) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-hexaprenyl-6-methoxyphenol (CHEBI:1109) has role mouse metabolite (CHEBI:75771)
2-hexaprenyl-6-methoxyphenol (CHEBI:1109) is a 2-methoxy-6-(all-trans-polyprenyl)phenol (CHEBI:62731)
IUPAC Name 
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxyphenol
Synonym  Source
2-Hexaprenyl-6-methoxyphenolKEGG COMPOUND
UniProt Name  Source
2-methoxy-6-(all-trans-hexaprenyl)phenolUniProt
Manual XrefsDatabases
C05802KEGG COMPOUND
2-HEXAPRENYL-6-METHOXYPHENOLMetaCyc