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CHEBI:61873 - 2-demethylmenaquinol-8

Default Structure
ChEBI IDCHEBI:61873
ChEBI Name2-demethylmenaquinol-8
Stars
DefinitionA 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of eight isoprenoid units.
Last Modified28 January 2015
SubmitterEugeni Belda
DownloadsMolfile
FormulaC50H72O2
Net Charge0
Average Mass705.124
Monoisotopic Mass704.55323
SMILESCC(C)=CCC/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/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C50H72O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37,51-52H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+
InChIKeyFGYPGICSXJEKCG-AENDIINCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-demethylmenaquinol-8 (CHEBI:61873) is a 2-demethylmenaquinol (CHEBI:55437)
IUPAC Name 
2-[(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]naphthalene-1,4-diol
Synonyms  Source
demethylmenaquinol-8MetaCyc
DMKH2-8MetaCyc
UniProt Name  Source
2-demethylmenaquinol-8UniProt
Manual XrefsDatabases
CPD-12115MetaCyc
Citations