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 ChemicalBook:CB6373566, eMolecules:478733, ZINC000000895218
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