CHEBI:18261 - N-carbamoyl-β-alanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-carbamoyl-β-alanine
ChEBI ID CHEBI:18261
ChEBI ASCII Name N-carbamoyl-beta-alanine
Definition A β-alanine derivative that is propionic acid bearing a ureido group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:21690, CHEBI:46352, CHEBI:12495, CHEBI:1671
Supplier Information ChemicalBook:CB8141600, ChemicalBook:CB3141599, eMolecules:478712, ZINC000000895032
Download Molfile XML SDF
more structures >>
Wikipedia License
p-Toluic acid (4-methylbenzoic acid) is a substituted benzoic acid with the formula CH3C6H4CO2H. It is a white solid that is poorly soluble in water but soluble in acetone. A laboratory route to p-toluic acid involves oxidation of p-cymene with nitric acid.
Read full article at Wikipedia
Formula C4H8N2O3
Net Charge 0
Average Mass 132.11800
Monoisotopic Mass 132.05349
InChI InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKey JSJWCHRYRHKBBW-UHFFFAOYSA-N
SMILES NC(=O)NCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 N-carbamoyl-β-alaninate (CHEBI:11892) is conjugate base of N-carbamoyl-β-alanine (CHEBI:18261)
IUPAC Names
3-(carbamoylamino)propanoic acid
N-carbamoyl-β-alanine
Synonyms Sources
3-[(aminocarbonyl)amino]propanoic acid ChEBI
3-Ureidopropanoate KEGG COMPOUND
3-ureidopropanoic acid HMDB
3-Ureidopropionate KEGG COMPOUND
3-Ureidopropionic acid HMDB
beta-Ureidopropionic acid KEGG COMPOUND
N-(AMINOCARBONYL)-BETA-ALANINE PDBeChem
N-(aminocarbonyl)-β-alanine ChemIDplus
N-Carbamoyl-beta-alanine KEGG COMPOUND
N-carbamoyl-beta-alanine PDBeChem
N-carbamoyl-beta-alanine ChEBI
Ureidopropanoic acid ChEBI
Ureidopropionic acid HMDB
Manual Xrefs Databases
3-UREIDO-PROPIONATE MetaCyc
3-Ureidopropionic_acid Wikipedia
C02642 KEGG COMPOUND
HMDB0000026 HMDB
URP PDBeChem
View more database links
Registry Numbers Types Sources
1705263 Reaxys Registry Number Reaxys
462-88-4 CAS Registry Number ChemIDplus
675230 Gmelin Registry Number Gmelin
Citations Types Sources
1536562 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
27 January 2016