CHEBI:16682 - N-acetyl-β-alanine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-acetyl-β-alanine ChEBI ID CHEBI:16682 ChEBI ASCII Name N-acetyl-beta-alanine Definition The N-acetyl derivative of β-alanine. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:7186, CHEBI:12449, CHEBI:21599 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H9NO3 Net Charge 0 Average Mass 131.12990 Monoisotopic Mass 131.05824 InChI InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) InChIKey LJLLAWRMBZNPMO-UHFFFAOYSA-N SMILES CC(=O)NCCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing N-acetyl-β-alanine (CHEBI:16682) is a β-alanine derivative (CHEBI:22823) N-acetyl-β-alanine (CHEBI:16682) is a N-acetyl-amino acid (CHEBI:21575) N-acetyl-β-alanine (CHEBI:16682) is conjugate acid of N-acetyl-β-alaninate (CHEBI:57857) Incoming N-acetyl-β-alaninate (CHEBI:57857) is conjugate base of N-acetyl-β-alanine (CHEBI:16682) IUPAC Name 3-acetamidopropanoic acid Synonyms Sources 3-(acetylamino)propanoic acid IUPAC N-Acetyl-beta-alanine KEGG COMPOUND Manual Xrefs Databases C01073 KEGG COMPOUND CPD-580 MetaCyc View more database links Registry Numbers Types Sources 1317687 Gmelin Registry Number Gmelin 1704093 Beilstein Registry Number Beilstein 1704093 Reaxys Registry Number Reaxys 3025-95-4 CAS Registry Number KEGG COMPOUND 3025-95-4 CAS Registry Number ChemIDplus Last Modified 23 October 2015