D-3-sulfolactaldehyde (PAMDB100034)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB100034
Identification
Name: D-3-sulfolactaldehyde
Description:A 3-sulfolactaldehyde in which the stereocentre at position 3 has R-configuration.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C3H6O5S
Average Molecular Weight: 154.143
Monoisotopic Molecular Weight: 153.994
InChI Key: GVEIZEMJOBQMCQ-GSVOUGTGSA-N
InChI:InChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)/t3-/m1/s1
CAS number: Not Available
IUPAC Name:(2R)-2-hydroxy-3-oxopropane-1-sulfonic acid
Traditional IUPAC Name: Not Available
SMILES:OS(C[C@@H](C(=O)[H])O)(=O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Organic sulfonic acids and derivatives
Sub ClassOrganosulfonic acids and derivatives
Direct Parent Organosulfonic acids
Alternative Parents
Substituents
  • Alpha-hydroxyaldehyde
  • Alkanesulfonic acid
  • Sulfonyl
  • Organosulfonic acid
  • Secondary alcohol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass154.1442ChemAxon
logP-0.4852ChemAxon
H-bond acceptors5ChemAxon
H-bond donors2ChemAxon
Rotatable bonds3ChemAxon
PSA100.0500ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity28.4326ChemAxon
Atoms15ChemAxon
Rings0ChemAxon
Heavy atoms9ChemAxon
Hydrogen atoms6ChemAxon
Heteroatoms6ChemAxon
N/O atoms5ChemAxon
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:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Felux AK, Spiteller D, Klebensberger J, Schleheck D. Entner-Doudoroff pathway for sulfoquinovose degradation in Pseudomonas putida SQ1. Proc Natl Acad Sci U S A. 2015 Aug 4;112(31):E4298-305. Jul 20. Pubmed: 26195800
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links: Not Available