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2-Oxoarginine (PC000841)

Record Information
Version1.0
Creation date2015-10-09 22:33:02 UTC
Update date2017-01-19 02:36:38 UTC
FoodComEx IDPC000841
FoodDB RecordFDB023338
Chemical Information
Name2-Oxoarginine
Description2-Oxoarginine is a guanidino compound metabolite of arginine catabolism. 2-Oxoarginine levels are increased in patients with argininemia (OMIM:207800). Argininemia, characterized by arginase deficiency (EC 3.5.3.1, catalyzes the last step of the urea cycle) is an autosomal recessive inborn error of metabolism caused by a defect in the final step in the urea cycle, the hydrolysis of arginine to urea and ornithine. Accumulation of arginine metabolites (such as guanidino compounds) especially 2-oxoarginine, may produce the central nervous system damage in argininemia. (PMID: 3433275, 1588833, 1690873, 819629) [HMDB]
CAS Number3715-10-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
2-oxo-5-Guanidino-pentanoateChEBI
2-oxo-5-Guanidino-pentanoic acidGenerator
2-oxo-5-GuanidinopentanoateChEBI
2-oxo-5-Guanidinopentanoic acidGenerator
2-oxo-5-GuanidinovalerateGenerator
2-Oxo-5-guanidinovaleric acidhmdb
5-((Aminoiminomethyl)amino)-2-oxopentanoateGenerator
5-((Aminoiminomethyl)amino)-2-oxopentanoic acidChEBI
5-(diaminomethylideneamino)-2-oxopentanoatehmdb
5-(diaminomethylideneamino)-2-oxopentanoic acidhmdb
5-Guanidino-2-oxo-pentanoateChEBI
5-Guanidino-2-oxo-pentanoic acidGenerator
5-Guanidino-2-oxopentanoateChEBI
5-Guanidino-2-oxopentanoic acidGenerator
5-Guanidino-2-oxovaleric acidhmdb
a-keto-d-Guanidinovaleric acidhmdb
a-keto-delta-GuanidinopentanoateGenerator
a-keto-delta-Guanidinopentanoic acidGenerator
a-keto-delta-GuanidinovalerateGenerator
a-keto-delta-Guanidinovaleric acidGenerator
a-keto-δ-guanidinopentanoateGenerator
a-keto-δ-guanidinopentanoic acidGenerator
a-keto-δ-guanidinovalerateGenerator
a-keto-δ-guanidinovaleric acidGenerator
alpha-keto-delta-GuanidinopentanoateGenerator
alpha-keto-delta-Guanidinopentanoic acidChEBI
alpha-keto-delta-GuanidinovalerateGenerator
alpha-keto-delta-Guanidinovaleric acidhmdb
d-Guanidino-a-oxovaleric acidhmdb
d-Guanido-a-ketovaleric acidhmdb
delta-Guanidino-alpha-oxovaleric acidhmdb
delta-Guanido-alpha-ketovaleric acidhmdb
α-keto-δ-guanidinopentanoateGenerator
α-keto-δ-guanidinopentanoic acidGenerator
α-keto-δ-guanidinovalerateGenerator
α-keto-δ-guanidinovaleric acidGenerator
Chemical FormulaC6H11N3O3
IUPAC name5-[(diaminomethylidene)amino]-2-oxopentanoic acid
InChI IdentifierInChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChI KeyARBHXJXXVVHMET-UHFFFAOYSA-N
Isomeric SMILESNC(N)=NCCCC(=O)C(O)=O
Average Molecular Weight173.1698
Monoisotopic Molecular Weight173.080041233
Chemical Taxonomy
Description Belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassKeto acids and derivatives
Sub ClassShort-chain keto acids and derivatives
Direct ParentShort-chain keto acids and derivatives
Alternative Parents
Substituents
  • Short-chain keto acid
  • Alpha-keto acid
  • Alpha-hydroxy ketone
  • Guanidine
  • Ketone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 300 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Toronto Research Chemicals G412100