EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174044 - 4-Aminobenzoyl-(beta)-alanine

Default Structure
ChEBI IDCHEBI:174044
ChEBI Name4-Aminobenzoyl-(beta)-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12N2O3
Net Charge0
Average Mass208.217
Monoisotopic Mass208.08479
SMILESNc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKeyVHAXWROFYVPXMZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Aminobenzoyl-(beta)-alanine (CHEBI:174044) has functional parent β-amino acid (CHEBI:33706)
4-Aminobenzoyl-(beta)-alanine (CHEBI:174044) is a organonitrogen compound (CHEBI:35352)
4-Aminobenzoyl-(beta)-alanine (CHEBI:174044) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[(4-aminobenzoyl)amino]propanoic acid
Manual XrefsDatabases
628110ChemSpider
HMDB0060757HMDB
Registry NumbersSources
CAS:7377-08-4ChemIDplus