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CHEBI:1233 - 3-(all-trans-octaprenyl)benzene-1,2-diol

ChEBI IDCHEBI:1233
ChEBI Name3-(all-trans-octaprenyl)benzene-1,2-diol
Stars
ASCII Name3-(all-trans-octaprenyl)benzene-1,2-diol
DefinitionA 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-octaprenyl moiety.
Secondary ChEBI IDCHEBI:62730
Last Modified8 October 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H70O2
Net Charge0
Average Mass655.064
Monoisotopic Mass654.53758
SMILESCC(C)=CCC/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/Cc1cccc(O)c1O
InChIInChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+
InChIKeyYNPGYMZVNLIZLD-BQFKTQOQSA-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)
3-(all-trans-octaprenyl)benzene-1,2-diol (CHEBI:1233) has role Escherichia coli metabolite (CHEBI:76971)
3-(all-trans-octaprenyl)benzene-1,2-diol (CHEBI:1233) is a 3-(all-trans-polyprenyl)benzene-1,2-diol (CHEBI:62729)
IUPAC Name 
3-[(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]benzene-1,2-diol
Synonyms  Source
2-Octaprenyl-6-hydroxyphenolKEGG COMPOUND
3-OctaprenylcatecholKEGG COMPOUND
UniProt Name  Source
3-(all-trans-octaprenyl)benzene-1,2-diolUniProt
Manual XrefsDatabases
2-OCTAPRENYL-6-HYDROXYPHENOLMetaCyc
C05811KEGG COMPOUND
Citations