Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB100053
Identification
Name: 2-hydroxylauric acid
Description:A monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains.
Structure
Thumb
Synonyms:
  • 2-hydroxy-dodecanoic acid
  • 2-hydroxylauric acid
  • α-hydroxy lauric acid
Chemical Formula: C12H24O3
Average Molecular Weight: 216.31716
Monoisotopic Molecular Weight: 216.173
InChI Key: YDZIJQXINJLRLL-UHFFFAOYSA-N
InChI:InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
CAS number: Not Available
IUPAC Name:2-hydroxydodecanoic acid
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCCCC(O)C(O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Fatty Acyls
Sub ClassFatty acids and conjugates
Direct Parent Medium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Hydroxy fatty acid
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • 2-hydroxy fatty acid, 2-hydroxy monocarboxylic acid (CHEBI:36211)
  • Hydroxy fatty acids (LMFA01050036)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass216.3168ChemAxon
logP2.9627ChemAxon
H-bond acceptors3ChemAxon
H-bond donors2ChemAxon
Rotatable bonds10ChemAxon
PSA57.5300ChemAxon
RO5 violations0ChemAxon
RO3 violations1ChemAxon
Refractivity62.7316ChemAxon
Atoms39ChemAxon
Rings0ChemAxon
Heavy atoms15ChemAxon
Hydrogen atoms24ChemAxon
Heteroatoms3ChemAxon
N/O atoms3ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers1ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers1ChemAxon
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:
    • Hvozdiak RI, Dankevych LA, Votselko SK, Holubets' OV. [Fatty acids composition of cellular lipids of the collected and newly isolated Pseudomonas lupini strains]. Mikrobiol Z. 2005 Sep-Oct;67(5):28-36. Pubmed: 16396109
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    LIPID MAPSLMFA01050036