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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:00:08 UTC
HMDB IDHMDB0000368
Secondary Accession Numbers
  • HMDB00368
Metabolite Identification
Common Name2(R)-Hydroxyadipic acid
Description2(R)-Hydroxyadipic acid, also known as 2(R)-hydroxyadipate or 2-hydroxy-(R)-hexanedioate, 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. Based on a literature review very few articles have been published on 2(R)-Hydroxyadipic acid.
Structure
Thumb
Synonyms
ValueSource
2(R)-HydroxyadipateGenerator
(2R)-2-HydroxyadipateHMDB
(2R)-2-Hydroxyadipic acidHMDB
2-Hydroxy-(R)-hexanedioateHMDB
2-Hydroxy-(R)-hexanedioic acidHMDB
(R)-2-HydroxyadipateHMDB
Chemical FormulaC6H10O5
Average Molecular Weight162.1406
Monoisotopic Molecular Weight162.05282343
IUPAC Name(2R)-2-hydroxyhexanedioic acid
Traditional Name(R)-2-hydroxyadipic acid
CAS Registry Number77252-44-9
SMILES
O[C@H](CCCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
InChI KeyOTTXIFWBPRRYOG-SCSAIBSYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Hydroxy acid
  • Dicarboxylic acid or derivatives
  • Alpha-hydroxy acid
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021987
KNApSAcK IDNot Available
Chemspider ID8031259
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5357
PubChem Compound9855559
PDB IDNot Available
ChEBI ID55541
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceSenkpeil, Richard F.; Pantaleone, David P.; Taylor, Paul P. Production of a-hydroxy-carboxylic acids using a coupled enzyme system. PCT Int. Appl. (2002), 32 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kamerling JP, Duran M, Gerwig GJ, Ketting D, Bruinvis L, Vliegenthart JF, Wadman SK: Determination of the absolute configuration of some biologically important urinary 2-hydroxydicarboxylic acids by capillary gas--liquid chromatography. J Chromatogr. 1981 Feb 13;222(2):276-83. [PubMed:6788787 ]