Record Information
Version2.0
Creation Date2015-06-04 15:16:36 -0600
Update Date2015-07-23 12:07:06 -0600
Secondary Accession Numbers
  • ECMDB23785
Identification
Name:Enzyme N6-(dihydrolipoyl)lysine
Description:
Structure
Thumb
Synonyms:
  • (e)-3-chloro-2-Propen-1-ol
  • (e)-3-Chloroallyl alcohol
  • trans-3-Chloroallyl alcohol
Chemical Formula:C3H5ClO
Weight:Average: 92.524
Monoisotopic: 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
DescriptionThis compound belongs to the class of chemical entities known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganohalogen compounds
Sub ClassVinyl halides
Direct ParentVinyl chlorides
Alternative Parents
Substituents
  • Chloroalkene
  • Haloalkene
  • Vinyl chloride
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organochloride
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic 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:
SMPDB Pathways:Not Available
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MSsplash10-055f-9000000000-a67937e76a9ac12ca31dView in MoNA
GC-MSGC-MS Spectrum - GC-MS (1 TMS)splash10-00fr-9300000000-04b75f98817983db1ad5View in MoNA
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 IDNot Available
Pubchem Compound ID287955
Kegg IDC15973
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in transferase activity, transferring acyl groups
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2). It contains multiple copies of three enzymatic components:pyruvate dehydrogenase (E1), dihydrolipoamide acetyltransferase (E2) and lipoamide dehydrogenase (E3)
Gene Name:
aceF
Uniprot ID:
P06959
Molecular weight:
66096
Reactions
Acetyl-CoA + enzyme N(6)-(dihydrolipoyl)lysine = CoA + enzyme N(6)-(S-acetyldihydrolipoyl)lysine.
General function:
Involved in oxidoreductase activity
Specific function:
Lipoamide dehydrogenase is a component of the glycine cleavage system as well as of the alpha-ketoacid dehydrogenase complexes
Gene Name:
lpdA
Uniprot ID:
P0A9P0
Molecular weight:
50688
Reactions
Protein N(6)-(dihydrolipoyl)lysine + NAD(+) = protein N(6)-(lipoyl)lysine + NADH.
General function:
Involved in transferase activity, transferring acyl groups
Specific function:
The 2-oxoglutarate dehydrogenase complex catalyzes the overall conversion of 2-oxoglutarate to succinyl-CoA and CO(2). It contains multiple copies of three enzymatic components:2- oxoglutarate dehydrogenase (E1), dihydrolipoamide succinyltransferase (E2) and lipoamide dehydrogenase (E3)
Gene Name:
sucB
Uniprot ID:
P0AFG6
Molecular weight:
44011
Reactions
Succinyl-CoA + enzyme N(6)-(dihydrolipoyl)lysine = CoA + enzyme N(6)-(S-succinyldihydrolipoyl)lysine.