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CHEBI:50531 - (R)-β-alanopine

ChEBI IDCHEBI:50531
ChEBI Name(R)-β-alanopine
Stars
ASCII Name(R)-beta-alanopine
DefinitionThe N-(2-carboxyethyl) derivative of L-alanine.
Last Modified28 July 2014
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-/m1/s1
InChIKeyOAWHMSFCLIYBHE-SCSAIBSYSA-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)
(R)-β-alanopine (CHEBI:50531) is a β-alanopine (CHEBI:15337)
(R)-β-alanopine (CHEBI:50531) is conjugate acid of (R)-β-alanopine(1−) (CHEBI:58825)
(R)-β-alanopine (CHEBI:50531) is enantiomer of (S)-β-alanopine (CHEBI:50532)
Incoming Relation(s)
(R)-β-alanopine(1−) (CHEBI:58825) is conjugate base of (R)-β-alanopine (CHEBI:50531)
(S)-β-alanopine (CHEBI:50532) is enantiomer of (R)-β-alanopine (CHEBI:50531)
IUPAC Name 
N-(2-carboxyethyl)-D-alanine
Synonyms  Source
(2R)-2-[(2-carboxyethyl)amino]propanoic acidIUPAC
N-(D-1-carboxyethyl)-β-alanineIUBMB
N-(D-1-Carboxyethyl)-beta-alanineKEGG COMPOUND
Manual XrefsDatabases
C02207KEGG COMPOUND