L-homoserine lactone (PAMDB120339)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120339
Identification
Name: L-homoserine lactone
Description:An ammonium ion resulting from the protonation of the amino group of L-homoserine lactone. The major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C4H8NO2
Average Molecular Weight: 102.113
Monoisotopic Molecular Weight: 102.055504
InChI Key: QJPWUUJVYOJNMH-VKHMYHEASA-O
InChI:InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/p+1/t3-/m0/s1
CAS number: Not Available
IUPAC Name:(3S)-2-oxotetrahydrofuran-3-aminium
Traditional IUPAC Name: Not Available
SMILES:C1(CC([N+])C(=O)O1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Alpha amino acid esters
Alternative Parents
Substituents
  • Alpha-amino acid ester
  • Gamma butyrolactone
  • Tetrahydrofuran
  • Lactone
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic cation
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass102.1119ChemAxon
logP-1.4562ChemAxon
H-bond acceptors3ChemAxon
H-bond donors1ChemAxon
Rotatable bonds0ChemAxon
PSA53.9400ChemAxon
RO5 violations0ChemAxon
RO3 violations0ChemAxon
Refractivity24.4781ChemAxon
Atoms15ChemAxon
Rings1ChemAxon
Heavy atoms7ChemAxon
Hydrogen atoms8ChemAxon
Heteroatoms3ChemAxon
N/O atoms3ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers1ChemAxon
R/S chiral centers1ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
HAI-1 + Water → L-homoserine lactone + (R)-3-hydroxybutanoate
Acyl-homoserine-lactones + Water → L-homoserine lactone + Carboxylates
AAI + Water → L-homoserine lactone + 3-oxooctanoate
VAI-2 + Water → L-homoserine lactone + octanoate
VAI-1 + Water → L-homoserine lactone + 3-oxohexanoate
PAI-2 + Water → L-homoserine lactone + butanoate
N-(3-oxododecanoyl)-L-homoserine lactone + Water → L-homoserine lactone + 3-oxo-dodecanoate
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI58633