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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:29:48 UTC
Update Date2022-03-07 02:56:24 UTC
HMDB IDHMDB0039948
Secondary Accession Numbers
  • HMDB39948
Metabolite Identification
Common Name3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
Description3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide has been detected, but not quantified in, fruits. This could make 3,4-dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide.
Structure
Thumb
Synonyms
ValueSource
3-[3,4-Dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanimidateHMDB
Chemical FormulaC8H16N2O4
Average Molecular Weight204.2236
Monoisotopic Molecular Weight204.11100701
IUPAC Name3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
Traditional Name3-[3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CAS Registry NumberNot Available
SMILES
NC(=O)CCN1CC(O)C(O)C1CO
InChI Identifier
InChI=1S/C8H16N2O4/c9-7(13)1-2-10-3-6(12)8(14)5(10)4-11/h5-6,8,11-12,14H,1-4H2,(H2,9,13)
InChI KeyARJIGPTXXUGWDZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolidines
Sub ClassN-alkylpyrrolidines
Direct ParentN-alkylpyrrolidines
Alternative Parents
Substituents
  • N-alkylpyrrolidine
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Tertiary amine
  • Tertiary aliphatic amine
  • Carboximidic acid
  • Carboximidic acid derivative
  • Azacycle
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic nitrogen compound
  • Amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
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 Locations
  • Cytoplasm
  • Extracellular
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 IDFDB019610
KNApSAcK IDNot Available
Chemspider ID35014900
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85303757
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .