EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84528 - 2-methoxy-6-all-trans-heptaprenylhydroquinone

Default Structure
ChEBI IDCHEBI:84528
ChEBI Name2-methoxy-6-all-trans-heptaprenylhydroquinone
Stars
ASCII Name2-methoxy-6-all-trans-heptaprenylhydroquinone
DefinitionA 2-methoxy-6-all-trans-polyprenylhydroquinone in which the polyprenyl component is specified as all-trans-heptaprenyl.
Last Modified25 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC42H64O3
Net Charge0
Average Mass616.971
Monoisotopic Mass616.48555
SMILESCOc1cc(O)cc(C/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
InChIInChI=1S/C42H64O3/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43)31-41(45-9)42(39)44/h16,18,20,22,24,26,28,30-31,43-44H,10-15,17,19,21,23,25,27,29H2,1-9H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+
InChIKeyWEGXYVFDOLUULO-TUUMQRACSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-6-all-trans-heptaprenylhydroquinone (CHEBI:84528) is a 2-methoxy-6-all-trans-polyprenylhydroquinone (CHEBI:84166)
IUPAC Name 
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-6-methoxybenzene-1,4-diol
Synonyms  Source
6-heptaprenyl-2-methoxy-1,4-benzoquinolMetaCyc
all-trans-2-heptaprenyl-6-methoxyhydroquinoneSUBMITTER
UniProt Name  Source
2-methoxy-6-(all-trans-heptaprenyl)benzene-1,4-diolUniProt
Manual XrefsDatabases
CPD-9858MetaCyc