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CHEBI:28116 - 5-guanidino-2-oxopentanoic acid

Default Structure
ChEBI IDCHEBI:28116
ChEBI Name5-guanidino-2-oxopentanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group.
Secondary ChEBI IDsCHEBI:1249, CHEBI:2060, CHEBI:19740
Last Modified21 November 2019
DownloadsMolfile
FormulaC6H11N3O3
Net Charge0
Average Mass173.172
Monoisotopic Mass173.08004
SMILESN=C(N)NCCCC(=O)C(=O)O
InChIInChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKeyARBHXJXXVVHMET-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) has functional parent valeric acid (CHEBI:17418)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) has role human metabolite (CHEBI:77746)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) has role mouse metabolite (CHEBI:75771)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) is a 2-oxo monocarboxylic acid (CHEBI:35910)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) is conjugate acid of 5-guanidino-2-oxopentanoate (CHEBI:18253)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) is tautomer of 5-guanidino-2-oxopentanoic acid zwitterion (CHEBI:58489)
Incoming Relation(s)
5-guanidino-2-oxopentanoate (CHEBI:18253) is conjugate base of 5-guanidino-2-oxopentanoic acid (CHEBI:28116)
5-guanidino-2-oxopentanoic acid zwitterion (CHEBI:58489) is tautomer of 5-guanidino-2-oxopentanoic acid (CHEBI:28116)
IUPAC Name 
5-carbamimidamido-2-oxopentanoic acid
Synonyms  Source
2-Oxo-5-guanidino-pentanoateKEGG COMPOUND
2-Oxo-5-guanidinopentanoateKEGG COMPOUND
2-oxo-5-guanidinovaleric acidChemIDplus
2-OxoarginineKEGG COMPOUND
5-((aminoiminomethyl)amino)-2-oxopentanoic acidChemIDplus
5-Guanidino-2-oxo-pentanoateKEGG COMPOUND
Manual XrefsDatabases
C03771KEGG COMPOUND
JX7PDBeChem
Registry NumbersSources
Beilstein:1778170Beilstein
Reaxys:1778170Reaxys
CAS:3715-10-4ChemIDplus
CAS:3715-10-4KEGG COMPOUND