EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:15337 - β-alanopine

ChEBI IDCHEBI:15337
ChEBI Nameβ-alanopine
Stars
ASCII Namebeta-alanopine
Secondary ChEBI IDsCHEBI:10345, CHEBI:12390, CHEBI:22824
Last Modified2 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H11NO4
Net Charge0
Average Mass161.157
Monoisotopic Mass161.06881
SMILESCC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyOAWHMSFCLIYBHE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
β-alanopine (CHEBI:15337) has functional parent propionic acid (CHEBI:30768)
β-alanopine (CHEBI:15337) is a amino dicarboxylic acid (CHEBI:36164)
Incoming Relation(s)
(R)-β-alanopine (CHEBI:50531) is a β-alanopine (CHEBI:15337)
(S)-β-alanopine (CHEBI:50532) is a β-alanopine (CHEBI:15337)
IUPAC Name 
N-(2-carboxyethyl)alanine
Synonyms  Source
beta-AlanopineKEGG COMPOUND
2-[(2-carboxyethyl)amino]propanoic acidIUPAC
Manual XrefsDatabases
C02207KEGG COMPOUND
Registry NumbersSources
Beilstein:1773072Beilstein