CHEBI:64181 - 2-decaprenyl-6-methoxy-3-methylhydroquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-decaprenyl-6-methoxy-3-methylhydroquinone
ChEBI ID CHEBI:64181
Definition A polyprenylhydroquinone in which the polyprenyl substituent is decaprenyl at C-2; additional methyl and methoxy groups are also present at positions C-3 and C-6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C58H90O3
Net Charge 0
Average Mass 835.33340
Monoisotopic Mass 834.68900
InChI InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
InChIKey XCOXSBLQZPFVGK-RGIWONJESA-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)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O
ChEBI Ontology
Outgoing 2-decaprenyl-6-methoxy-3-methylhydroquinone (CHEBI:64181) is a 2-methoxy-5-methyl-6-all-trans-polyprenylhydroquinone (CHEBI:84167)
IUPAC Name
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
Synonyms Sources
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinol ChEBI
5-methoxy-2-methyl-3-(all-trans-decaprenyl)benzene-1,4-diol UniProt
6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol SUBMITTER
6-methoxy-3-methyl-2-decaprenyl-1,4-benzoquinol ChEBI
6-methoxy-3-methyl-2-decaprenylhydroquinone ChEBI
Manual Xref Database
CPD-9871 MetaCyc
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Last Modified
25 September 2024