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CHEBI:84552 - menaquinol-13

ChEBI IDCHEBI:84552
ChEBI Namemenaquinol-13
Stars
DefinitionA menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of thirteen isoprenoid units.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC76H114O2
Net Charge0
Average Mass1059.746
Monoisotopic Mass1058.88188
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/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(O)c2ccccc2c1O
InChIInChI=1S/C76H114O2/c1-58(2)30-18-31-59(3)32-19-33-60(4)34-20-35-61(5)36-21-37-62(6)38-22-39-63(7)40-23-41-64(8)42-24-43-65(9)44-25-45-66(10)46-26-47-67(11)48-27-49-68(12)50-28-51-69(13)52-29-53-70(14)56-57-72-71(15)75(77)73-54-16-17-55-74(73)76(72)78/h16-17,30,32,34,36,38,40,42,44,46,48,50,52,54-56,77-78H,18-29,31,33,35,37,39,41,43,45,47,49,51,53,57H2,1-15H3/b59-32+,60-34+,61-36+,62-38+,63-40+,64-42+,65-44+,66-46+,67-48+,68-50+,69-52+,70-56+
InChIKeyZLHYYDGAQJJTJL-HWRCDASFSA-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-13 (CHEBI:84552) has role electron donor (CHEBI:15022)
menaquinol-13 (CHEBI:84552) is a menaquinol (CHEBI:18151)
IUPAC Name 
2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-yl]naphthalene-1,4-diol
Synonym  Source
MKH2-13SUBMITTER
UniProt Name  Source
menaquinol-13UniProt
Manual XrefsDatabases
CPD-12130MetaCyc