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CHEBI:76050 - L-alanine-2,3,3,3-d4

ChEBI IDCHEBI:76050
ChEBI NameL-alanine-2,3,3,3-d4
Stars
ASCII NameL-alanine-2,3,3,3-d4
DefinitionA deuterated compound that is L-alanine in which the α-hydrogen and the three methyl hydrogens are replaced by deuterium.
Last Modified28 October 2013
SubmitterSBeisken
DownloadsMolfile
FormulaC3H3D4NO2
Net Charge0
Average Mass93.118
Monoisotopic Mass93.07279
SMILES[2H]C([2H])([2H])[C@]([2H])(N)C(=O)O
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3,2D
InChIKeyQNAYBMKLOCPYGJ-IALWIIEESA-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).
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).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
L-alanine-2,3,3,3-d4 (CHEBI:76050) is a L-α-amino acid (CHEBI:15705)
L-alanine-2,3,3,3-d4 (CHEBI:76050) is a alanine (CHEBI:16449)
L-alanine-2,3,3,3-d4 (CHEBI:76050) is a deuterated compound (CHEBI:76107)
IUPAC Name 
L-(2,3,3,3-2H4)alanine
Synonyms  Source
L-alanine-d4ChEBI
2,3,3,3-tetradeuterioL-alanineChEBI
Registry NumbersSources
Reaxys:11056411Reaxys