CHEBI:18261 - N-carbamoyl-β-alanine

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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:CB5226551, eMolecules:533126, ZINC000082071923
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3-Ureidopropionic acid, also called N-carbamoyl-beta-alanine, is an intermediate in the metabolism of uracil. It is a urea derivative of beta-alanine.
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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
Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C (2012)
Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer.
Analytical chemistry 84, 6429-6437 [PubMed:22770225]
[show Abstract]
Salek RM, Maguire ML, Bentley E, Rubtsov DV, Hough T, Cheeseman M, Nunez D, Sweatman BC, Haselden JN, Cox RD, Connor SC, Griffin JL (2007)
A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human.
Physiological genomics 29, 99-108 [PubMed:17190852]
[show Abstract]
Matthews MM, Liao W, Kvalnes-Krick KL, Traut TW (1992)
beta-Alanine synthase: purification and allosteric properties.
Archives of biochemistry and biophysics 293, 254-263 [PubMed:1536562]
[show Abstract]
Last Modified
27 January 2016