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CHEBI:84547 - menaquinol-11

ChEBI IDCHEBI:84547
ChEBI Namemenaquinol-11
Stars
DefinitionA menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of eleven isoprenoid units.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC66H98O2
Net Charge0
Average Mass923.508
Monoisotopic Mass922.75668
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/Cc1c(C)c(O)c2ccccc2c1O
InChIInChI=1S/C66H98O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48,67-68H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+
InChIKeyZXHQKRGMWKZWGN-RYZSZPJESA-N
Roles Classification
Chemical Role:
electron donor  A molecular entity that can transfer an electron to another molecular entity.
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
menaquinol-11 (CHEBI:84547) has role electron donor (CHEBI:15022)
menaquinol-11 (CHEBI:84547) is a menaquinol (CHEBI:18151)
IUPAC Name 
2-methyl-3-[(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
Synonym  Source
MKH2-11SUBMITTER
UniProt Name  Source
menaquinol-11UniProt
Manual XrefsDatabases
CPD-12128MetaCyc