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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:38 UTC
Update Date2022-03-07 02:53:27 UTC
HMDB IDHMDB0032763
Secondary Accession Numbers
  • HMDB32763
Metabolite Identification
Common NameN2-Oxalylarginine
DescriptionN2-Oxalylarginine belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N2-Oxalylarginine has been detected, but not quantified in, malus (crab apple) and pomes. This could make N2-oxalylarginine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on N2-Oxalylarginine.
Structure
Thumb
Synonyms
ValueSource
5-Carbamimidamido-2-(carboxyformamido)pentanoateHMDB
Chemical FormulaC8H14N4O5
Average Molecular Weight246.2206
Monoisotopic Molecular Weight246.096419578
IUPAC Name5-carbamimidamido-2-(carboxyformamido)pentanoic acid
Traditional Name5-carbamimidamido-2-(carboxyformamido)pentanoic acid
CAS Registry Number90250-86-5
SMILES
NC(=N)NCCCC(NC(=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11)
InChI KeyINOVTBRJCBIPOS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine 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 ParentArginine and derivatives
Alternative Parents
Substituents
  • Arginine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Carboximidamide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Imine
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 IDFDB010730
KNApSAcK IDC00057639
Chemspider ID35013485
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound86250758
PDB IDNot Available
ChEBI ID174272
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.. .