Enzyme N6-(dihydrolipoyl)lysine (PAMDB004301)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB004301
Identification
Name: Enzyme N6-(dihydrolipoyl)lysine
Description:This compound belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl)
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • (e)-3-chloro-2-Propen-1-ol
  • (e)-3-Chloroallyl alcohol
  • trans-3-Chloroallyl alcohol
Chemical Formula: C3H5ClO
Average Molecular Weight: 92.524
Monoisotopic Molecular Weight: 92.002892489
InChI Key: HJGHXDNIPAWLLE-OWOJBTEDSA-N
InChI:InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+
CAS number: Not Available
IUPAC Name:(2E)-3-chloroprop-2-en-1-ol
Traditional IUPAC Name: trans-3-chloroallyl alcohol
SMILES:OC\C=C\Cl
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
Kingdom Organic compounds
Super ClassOrganohalogen compounds
Class Vinyl halides
Sub ClassVinyl chlorides
Direct Parent Vinyl chlorides
Alternative Parents
Substituents
  • Chloroalkene
  • Haloalkene
  • Vinyl chloride
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organochloride
  • Alcohol
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility167.0 mg/mLALOGPS
logP0.52ALOGPS
logP0.53ChemAxon
logS0.26ALOGPS
pKa (Strongest Acidic)15.58ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity22.23 m3·mol-1ChemAxon
Polarizability8.55 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Acetyl-CoA + Enzyme N6-(dihydrolipoyl)lysine + Enzyme N6-(dihydrolipoyl)lysine <> Coenzyme A + [Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine
Succinyl-CoA + Enzyme N6-(dihydrolipoyl)lysine + Enzyme N6-(dihydrolipoyl)lysine <> Coenzyme A + [Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004l-9000000000-09855dec524cb4c221a6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-69f62947f6ed4410580dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-7b18f7fdc291e82e043fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-20dfbb94b434fde66677View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-6cb3e8dab0d3abfc6384View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-daa2f852317e556bb45dView in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID28960
HMDB IDHMDB60514
Pubchem Compound ID287955
Kegg IDC15973
ChemSpider ID253937
Wikipedia IDNot Available
BioCyc IDNot Available