CHEBI:84550 - menaquinol-12

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ChEBI Name menaquinol-12
ChEBI ID CHEBI:84550
Definition A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of twelve isoprenoid units.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C71H106O2
Net Charge 0
Average Mass 991.60010
Monoisotopic Mass 990.81928
InChI InChI=1S/C71H106O2/c1-54(2)28-17-29-55(3)30-18-31-56(4)32-19-33-57(5)34-20-35-58(6)36-21-37-59(7)38-22-39-60(8)40-23-41-61(9)42-24-43-62(10)44-25-45-63(11)46-26-47-64(12)48-27-49-65(13)52-53-67-66(14)70(72)68-50-15-16-51-69(68)71(67)73/h15-16,28,30,32,34,36,38,40,42,44,46,48,50-52,72-73H,17-27,29,31,33,35,37,39,41,43,45,47,49,53H2,1-14H3/b55-30+,56-32+,57-34+,58-36+,59-38+,60-40+,61-42+,62-44+,63-46+,64-48+,65-52+
InChIKey FWFJGQGPMZXTLM-WPPIEQSHSA-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\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-12 (CHEBI:84550) has role electron donor (CHEBI:15022)
menaquinol-12 (CHEBI:84550) is a menaquinol (CHEBI:18151)
IUPAC Name
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-yl]-3-methylnaphthalene-1,4-diol
Synonyms Sources
menaquinol-12 UniProt
MKH2-12 SUBMITTER
Manual Xref Database
CPD-12129 MetaCyc
View more database links
Last Modified
07 April 2015