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CHEBI:1235 - 2-methoxy-6-(all-trans-octaprenyl)phenol

ChEBI IDCHEBI:1235
ChEBI Name2-methoxy-6-(all-trans-octaprenyl)phenol
Stars
ASCII Name2-methoxy-6-(all-trans-octaprenyl)phenol
DefinitionA 2-methoxy-6-(all-trans-polyprenyl)phenol in which the substituent at position 6 is an all-trans-octaprenyl moiety.
Last Modified24 January 2019
DownloadsMolfile
FormulaC47H72O2
Net Charge0
Average Mass669.091
Monoisotopic Mass668.55323
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)CCC=C(C)C)c1O
InChIInChI=1S/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
InChIKeyMARGKPIMNMASKJ-CMAXTTDKSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-6-(all-trans-octaprenyl)phenol (CHEBI:1235) has role Escherichia coli metabolite (CHEBI:76971)
2-methoxy-6-(all-trans-octaprenyl)phenol (CHEBI:1235) is a 2-methoxy-6-(all-trans-polyprenyl)phenol (CHEBI:62731)
IUPAC Name 
2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol
Synonyms  Source
2-Octaprenyl-6-methoxyphenolKEGG COMPOUND
6-methoxy-2-octaprenylphenolChEBI
UniProt Name  Source
2-methoxy-6-(all-trans-octaprenyl)phenolUniProt
Manual XrefsDatabases
2-OCTAPRENYL-6-METHOXYPHENOLMetaCyc
C05812KEGG COMPOUND
Citations