CHEBI:57857 - N-acetyl-β-alaninate

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ChEBI Name N-acetyl-β-alaninate
ChEBI ID CHEBI:57857
ChEBI ASCII Name N-acetyl-beta-alaninate
Definition Conjugate base of N-acetyl-β-alanine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H8NO3
Net Charge -1
Average Mass 130.12190
Monoisotopic Mass 130.05097
InChI InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p-1
InChIKey LJLLAWRMBZNPMO-UHFFFAOYSA-M
SMILES CC(=O)NCCC([O-])=O
ChEBI Ontology
Outgoing N-acetyl-β-alaninate (CHEBI:57857) is a β-amino-acid anion (CHEBI:49095)
N-acetyl-β-alaninate (CHEBI:57857) is conjugate base of N-acetyl-β-alanine (CHEBI:16682)
Incoming N-acetyl-β-alanine (CHEBI:16682) is conjugate acid of N-acetyl-β-alaninate (CHEBI:57857)
IUPAC Name
3-acetamidopropanoate
Synonyms Sources
N-acetyl-β-alaninate anion ChEBI
N-acetyl-β-alaninate(1−) ChEBI
N-acetyl-β-alanine UniProt
Manual Xref Database
CPD-580 MetaCyc
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Last Modified
01 December 2014