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CHEBI:84542 - 2-demethylmenaquinol-9

Default Structure
ChEBI IDCHEBI:84542
ChEBI Name2-demethylmenaquinol-9
Stars
DefinitionA 2-demethylmenaquinol having a side chain composed of nine isoprenoid units.
Last Modified28 January 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC55H80O2
Net Charge0
Average Mass773.243
Monoisotopic Mass772.61583
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/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C55H80O2/c1-42(2)21-13-22-43(3)23-14-24-44(4)25-15-26-45(5)27-16-28-46(6)29-17-30-47(7)31-18-32-48(8)33-19-34-49(9)35-20-36-50(10)39-40-51-41-54(56)52-37-11-12-38-53(52)55(51)57/h11-12,21,23,25,27,29,31,33,35,37-39,41,56-57H,13-20,22,24,26,28,30,32,34,36,40H2,1-10H3/b43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-39+
InChIKeyWJUVWMHFGHNQJZ-RNFPTGGASA-N
ChEBI Ontology
Outgoing Relation(s)
2-demethylmenaquinol-9 (CHEBI:84542) is a 2-demethylmenaquinol (CHEBI:55437)
IUPAC Name 
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]naphthalene-1,4-diol
Synonyms  Source
demethylmenaquinol-9MetaCyc
DMKH2-9MetaCyc
UniProt Name  Source
2-demethylmenaquinol-9UniProt
Manual XrefsDatabases
CPD-12118MetaCyc
Citations