Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110697
Identification
Name: ubiquinol(50)
Description:Not Available
Structure
Thumb
Synonyms:
  • ubiquinol
  • ubiquinol-10
  • reduced ubiquinone
  • dihydroubiquinone
Chemical Formula: C59H92O4
Average Molecular Weight: 865.37
Monoisotopic Molecular Weight: 864.6995614416
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)=CCc1(c(O)c(OC)c(OC)c(c(C)1)O)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as polyprenyl quinols. These are compounds containing a polyisoprene chain attached to a quinol(hydroquinone) at the second ring position.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassQuinone and hydroquinone lipids
Direct Parent Polyprenyl quinols
Alternative Parents
Substituents
  • Polyterpenoid
  • 2-polyprenyl-6-methoxyphenol
  • Polyprenylbenzoquinol
  • Polyprenylphenol
  • Ubiquinol skeleton
  • Methoxyphenol
  • O-dimethoxybenzene
  • Dimethoxybenzene
  • Anisole
  • Hydroquinone
  • M-cresol
  • Phenoxy compound
  • O-cresol
  • Phenol ether
  • Methoxybenzene
  • Alkyl aryl ether
  • Phenol
  • Toluene
  • Monocyclic benzene moiety
  • Benzenoid
  • Ether
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular Framework Aromatic homomonocyclic compounds
External Descriptors
  • a ubiquinol (CPD-9958)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass865.3567ChemAxon
logP18.4706ChemAxon
H-bond acceptors4ChemAxon
H-bond donors2ChemAxon
Rotatable bonds31ChemAxon
PSA58.9200ChemAxon
RO5 violations2ChemAxon
RO3 violations4ChemAxon
Refractivity284.2070ChemAxon
Atoms155ChemAxon
Rings1ChemAxon
Heavy atoms63ChemAxon
Hydrogen atoms92ChemAxon
Heteroatoms4ChemAxon
N/O atoms4ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds9ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds9ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycUBIQUINOL