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CHEBI:50532 - (S)-β-alanopine

ChEBI IDCHEBI:50532
ChEBI Name(S)-β-alanopine
Stars
ASCII Name(S)-beta-alanopine
Last Modified3 September 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H11NO4
Net Charge0
Average Mass161.157
Monoisotopic Mass161.06881
SMILESC[C@H](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)/t4-/m0/s1
InChIKeyOAWHMSFCLIYBHE-BYPYZUCNSA-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)
(S)-β-alanopine (CHEBI:50532) is a β-alanopine (CHEBI:15337)
(S)-β-alanopine (CHEBI:50532) is enantiomer of (R)-β-alanopine (CHEBI:50531)
Incoming Relation(s)
(R)-β-alanopine (CHEBI:50531) is enantiomer of (S)-β-alanopine (CHEBI:50532)
IUPAC Name 
N-(2-carboxyethyl)-L-alanine
Synonym  Source
(2S)-2-[(2-carboxyethyl)amino]propanoic acidIUPAC
Registry NumbersSources
Beilstein:6775317Beilstein