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CHEBI:84546 - 2-demethylmenaquinol-10

ChEBI IDCHEBI:84546
ChEBI Name2-demethylmenaquinol-10
Stars
DefinitionA 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of ten isoprenoid units.
Last Modified28 January 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC60H88O2
Net Charge0
Average Mass841.362
Monoisotopic Mass840.67843
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/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C60H88O2/c1-46(2)23-14-24-47(3)25-15-26-48(4)27-16-28-49(5)29-17-30-50(6)31-18-32-51(7)33-19-34-52(8)35-20-36-53(9)37-21-38-54(10)39-22-40-55(11)43-44-56-45-59(61)57-41-12-13-42-58(57)60(56)62/h12-13,23,25,27,29,31,33,35,37,39,41-43,45,61-62H,14-22,24,26,28,30,32,34,36,38,40,44H2,1-11H3/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-43+
InChIKeyFNBTZSJWSSLPPL-ALCXCGRTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-demethylmenaquinol-10 (CHEBI:84546) is a 2-demethylmenaquinol (CHEBI:55437)
IUPAC Name 
2-[(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]naphthalene-1,4-diol
Synonyms  Source
DMKH2-10MetaCyc
demethylmenaquinol-10MetaCyc
UniProt Name  Source
2-demethylmenaquinol-10UniProt
Manual XrefsDatabases
CPD-12119MetaCyc
Citations