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CHEBI:84541 - menaquinol-9

ChEBI IDCHEBI:84541
ChEBI Namemenaquinol-9
Stars
DefinitionA menaquinol having a side chain composed of nine isoprenoid units.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC56H82O2
Net Charge0
Average Mass787.270
Monoisotopic Mass786.63148
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/Cc1c(C)c(O)c2ccccc2c1O
InChIInChI=1S/C56H82O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40,57-58H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+
InChIKeyKNWZIPKBOGOFFC-UVZVDVBNSA-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-9 (CHEBI:84541) has role electron donor (CHEBI:15022)
menaquinol-9 (CHEBI:84541) is a menaquinol (CHEBI:18151)
IUPAC Name 
2-methyl-3-[(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
MKH2-9SUBMITTER
all-trans-1,4-dihydro-vitamin K2(45)ChEBI
UniProt Name  Source
menaquinol-9UniProt
Manual XrefsDatabases
CPD-12126MetaCyc
Registry NumbersSources
Reaxys:3079216Reaxys