CHEBI:60656 - 5-methoxy-2-methyl-3-octaprenylhydroquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methoxy-2-methyl-3-octaprenylhydroquinone
ChEBI ID CHEBI:60656
Definition A polyprenylhydroquinone in which the polyprenyl substituent is octaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C48H74O3
Net Charge 0
Average Mass 699.09940
Monoisotopic Mass 698.56380
InChI InChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+
InChIKey HDSGDGSLNMIMKU-KFSSTAEESA-N
SMILES COc1cc(O)c(C)c(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
ChEBI Ontology
Outgoing 5-methoxy-2-methyl-3-octaprenylhydroquinone (CHEBI:60656) is a hydroquinones (CHEBI:24646)
5-methoxy-2-methyl-3-octaprenylhydroquinone (CHEBI:60656) is a polyprenylhydroquinone (CHEBI:26253)
IUPAC Name
5-methoxy-2-methyl-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-1,4-diol
Synonyms Sources
2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol ChEBI
3-octaprenyl-2-methyl-5-methoxy-1,4-benzoquinol ChEBI
5-methoxy-2-methyl-3-octaprenylquinol ChEBI
6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol UniProt
6-methoxy-3-methyl-2-octaprenylhydroquinone ChEBI
6-methoxy-3-methyl-2-octaprenylquinol ChEBI
Manual Xref Database
OCTAPRENYL-METHYL-METHOXY-BENZQ MetaCyc
View more database links
Last Modified
02 February 2015