CHEBI:28636 - 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone
ChEBI ID CHEBI:28636
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1232, CHEBI:19729
Supplier Information
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Formula C48H72O3
Net Charge 0
Average Mass 697.08348
Monoisotopic Mass 696.54815
InChI InChI=1S/C48H72O3/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/h19,21,23,25,27,29,31,33,35H,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 FLYBTLROCQBHMR-KFSSTAEESA-N
SMILES COC1=CC(=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)C1=O
ChEBI Ontology
Outgoing 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone (CHEBI:28636) is a polyprenylbenzoquinone (CHEBI:35795)
IUPAC Name
2-methyl-5-methoxy-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]cyclohexa-2,5-diene-1,4-dione
Synonyms Sources
2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone KEGG COMPOUND
3-methyl-6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone UniProt
Manual Xref Database
C05814 KEGG COMPOUND
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Last Modified
13 November 2017