CHEBI:28423 - 6-methoxy-2-octaprenyl-1,4-benzoquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-methoxy-2-octaprenyl-1,4-benzoquinone
ChEBI ID CHEBI:28423
Definition A polyprenylbenzoquinone that is 1,4-benzoquinone carrying 2-octaprenyl and 6-methoxy substituents; a precursor of E. coli K12 ubiquinones.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1234, CHEBI:19730
Supplier Information ChemicalBook:CB4385569, eMolecules:475176
Download Molfile XML SDF
Formula C47H70O3
Net Charge 0
Average Mass 683.05690
Monoisotopic Mass 682.53250
InChI InChI=1S/C47H70O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34-35H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+
InChIKey AFTBILPWMUSGIN-MYCGWMCTSA-N
SMILES COC1=CC(=O)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 6-methoxy-2-octaprenyl-1,4-benzoquinone (CHEBI:28423) is a 2-methoxy-6-all-trans-polyprenyl-1,4-benzoquinone (CHEBI:231819)
IUPAC Names
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]-1,4-benzoquinone
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]cyclohexa-2,5-diene-1,4-dione
Synonyms Sources
2-Octaprenyl-6-methoxy-1,4-benzoquinone KEGG COMPOUND
6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone UniProt
Manual Xref Database
C05813 KEGG COMPOUND
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Citation Type Source
4572721 PubMed citation Europe PMC
Last Modified
29 August 2024