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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:20 UTC
Update Date2022-03-07 02:52:09 UTC
HMDB IDHMDB0029425
Secondary Accession Numbers
  • HMDB29425
Metabolite Identification
Common NameL-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid
DescriptionL-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid has been detected, but not quantified in, fruits. This could make L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid.
Structure
Thumb
Synonyms
ValueSource
L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylateGenerator
4-(Hydroxymethyl)pyrrolidine-2-carboxylateGenerator
(2R,4S)-4-(Hydroxymethyl)-2-pyrrolidinecarboxylateGenerator
Chemical FormulaC6H11NO3
Average Molecular Weight145.1564
Monoisotopic Molecular Weight145.073893223
IUPAC Name4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
Traditional Name4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CAS Registry Number2370-39-0
SMILES
OCC1CNC(C1)C(O)=O
InChI Identifier
InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)
InChI KeyCISMGNUPDUKNQK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentProline and derivatives
Alternative Parents
Substituents
  • Proline or derivatives
  • Alpha-amino acid
  • Pyrrolidine carboxylic acid
  • Pyrrolidine carboxylic acid or derivatives
  • 1,3-aminoalcohol
  • Pyrrolidine
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Organoheterocyclic compound
  • Azacycle
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Amine
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point257 - 258 °CNot 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 IDFDB011871
KNApSAcK IDNot Available
Chemspider ID4476900
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5318294
PDB IDNot Available
ChEBI ID173604
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.. .