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CHEBI:84548 - 2-demethylmenaquinol-11

ChEBI IDCHEBI:84548
ChEBI Name2-demethylmenaquinol-11
Stars
DefinitionA 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of eleven isoprenoid units.
Last Modified28 January 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC65H96O2
Net Charge0
Average Mass909.481
Monoisotopic Mass908.74103
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/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C65H96O2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)47-48-61-49-64(66)62-45-13-14-46-63(62)65(61)67/h13-14,25,27,29,31,33,35,37,39,41,43,45-47,49,66-67H,15-24,26,28,30,32,34,36,38,40,42,44,48H2,1-12H3/b51-27+,52-29+,53-31+,54-33+,55-35+,56-37+,57-39+,58-41+,59-43+,60-47+
InChIKeyWVRZWRAIHITKPI-SOKMHQJSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-demethylmenaquinol-11 (CHEBI:84548) is a 2-demethylmenaquinol (CHEBI:55437)
IUPAC Name 
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-diol
Synonyms  Source
DMKH2-11MetaCyc
demethylmenaquinol-11MetaCyc
UniProt Name  Source
2-demethylmenaquinol-11UniProt
Manual XrefsDatabases
CPD-12120MetaCyc
Citations