Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB004516
Identification
Name: Demethylmenaquinol
Description:Demethylmenaquinol is an intermediate in nitrate respiration in E.coli. It is a substrate for the enzyme nitrate reductase A (NarGHI) .
Structure
Thumb
Synonyms:Not Available
Chemical Formula: (C5H8)nC15H16O2
Average Molecular Weight: Not Available
Monoisotopic Molecular Weight: Not Available
InChI Key: WASWRHBQWJCLSQ-RVDMUPIBSA-N
InChI:InChI=1S/C20H24O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13,21-22H,6,8,12H2,1-3H3/b15-11+
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCC\C(C)=C\CC1=C(O)C2=CC=CC=C2C(O)=C1
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassQuinone and hydroquinone lipids
Direct Parent Prenylated hydroquinones
Alternative Parents
Substituents
  • Prenylbenzoquinol
  • 1-naphthol
  • Naphthalene
  • Monoterpenoid
  • Bicyclic monoterpenoid
  • Aromatic monoterpenoid
  • Hydroquinone
  • Benzenoid
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular Framework Aromatic homopolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.00362 mg/mLALOGPS
logP5.76ALOGPS
logS-4.9ALOGPS
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0390000000-74ed1560cfe3c732d66cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-3950000000-8b17282e0fe939b8e7feView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0gb9-9410000000-fc87372477039366786eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0090000000-15340d3235dd8ac7d851View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0190000000-2d71c0279049d4b24bafView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-1930000000-5d055dcb6bf482124dc6View in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID56928124
Kegg IDC19847
ChemSpider ID30790925
Wikipedia IDNot Available
BioCyc IDNot Available