Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110696
Identification
Name: ubiquinone(50)
Description:Not Available
Structure
Thumb
Synonyms:
  • ubiquinone-10
  • coenzyme-Q10
Chemical Formula: C59H90O4
Average Molecular Weight: 863.36
Monoisotopic Molecular Weight: 862.6839113774
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:COC1(C(C(CC=C(C)CCC=C(CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C)C)C)=C(C(C=1OC)=O)C)=O)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassQuinone and hydroquinone lipids
Direct Parent Ubiquinones
Alternative Parents
Substituents
  • Polyterpenoid
  • Polyprenylbenzoquinone
  • Ubiquinone skeleton
  • Quinone
  • P-benzoquinone
  • Vinylogous ester
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular Framework Aliphatic homomonocyclic compounds
External Descriptors
  • a ubiquinone (UBIQUINONE-10)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass863.3408ChemAxon
logP17.8539ChemAxon
H-bond acceptors4ChemAxon
H-bond donors0ChemAxon
Rotatable bonds31ChemAxon
PSA52.6000ChemAxon
RO5 violations2ChemAxon
RO3 violations4ChemAxon
Refractivity280.4950ChemAxon
Atoms153ChemAxon
Rings1ChemAxon
Heavy atoms63ChemAxon
Hydrogen atoms90ChemAxon
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
CAS1339-63-5