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CHEBI:18261 - N-carbamoyl-β-alanine

ChEBI IDCHEBI:18261
ChEBI NameN-carbamoyl-β-alanine
Stars
ASCII NameN-carbamoyl-beta-alanine
DefinitionA β-alanine derivative that is propionic acid bearing a ureido group at position 3.
Secondary ChEBI IDsCHEBI:1671, CHEBI:12495, CHEBI:21690, CHEBI:46352
Last Modified27 January 2016
DownloadsMolfile
FormulaC4H8N2O3
Net Charge0
Average Mass132.119
Monoisotopic Mass132.05349
SMILESNC(=O)NCCC(=O)O
InChIInChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-carbamoyl-β-alanine (CHEBI:18261) has functional parent propionic acid (CHEBI:30768)
N-carbamoyl-β-alanine (CHEBI:18261) has role metabolite (CHEBI:25212)
N-carbamoyl-β-alanine (CHEBI:18261) has role mouse metabolite (CHEBI:75771)
N-carbamoyl-β-alanine (CHEBI:18261) is a β-alanine derivative (CHEBI:22823)
N-carbamoyl-β-alanine (CHEBI:18261) is conjugate acid of N-carbamoyl-β-alaninate (CHEBI:11892)
Incoming Relation(s)
N-carbamoyl-β-alaninate (CHEBI:11892) is conjugate base of N-carbamoyl-β-alanine (CHEBI:18261)
IUPAC Names 
N-carbamoyl-β-alanine
3-(carbamoylamino)propanoic acid
Synonyms  Source
3-UreidopropionateKEGG COMPOUND
3-UreidopropanoateKEGG COMPOUND
beta-Ureidopropionic acidKEGG COMPOUND
N-Carbamoyl-beta-alanineKEGG COMPOUND
N-carbamoyl-beta-alanineChEBI
N-(aminocarbonyl)-β-alanineChemIDplus
Manual XrefsDatabases
C02642KEGG COMPOUND
URPPDBeChem
HMDB0000026HMDB
3-UREIDO-PROPIONATEMetaCyc
3-Ureidopropionic_acidWikipedia
Registry NumbersSources
Gmelin:675230Gmelin
Reaxys:1705263Reaxys
CAS:462-88-4ChemIDplus
CAS:462-88-4KEGG COMPOUND
Citations