CHEBI:84552 - menaquinol-13

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ChEBI Name menaquinol-13
ChEBI ID CHEBI:84552
Definition A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of thirteen isoprenoid units.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C76H114O2
Net Charge 0
Average Mass 1059.71720
Monoisotopic Mass 1058.88188
InChI InChI=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+
InChIKey ZLHYYDGAQJJTJL-HWRCDASFSA-N
SMILES CC(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
Roles Classification
Chemical Role(s): electron donor
A molecular entity that can transfer an electron to another molecular entity.
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via menaquinol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
menaquinol-13 UniProt
MKH2-13 SUBMITTER
Manual Xref Database
CPD-12130 MetaCyc
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Last Modified
07 April 2015