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CHEBI:76052 - phenylalanine-d5

Default Structure
ChEBI IDCHEBI:76052
ChEBI Namephenylalanine-d5
Stars
ASCII Namephenylalanine-d5
DefinitionA deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium.
Last Modified26 March 2015
SubmitterSBeisken
DownloadsMolfile
FormulaC9H6D5NO2
Net Charge0
Average Mass170.223
Monoisotopic Mass170.11036
SMILES[2H]c1c([2H])c([2H])c(CC(N)C(=O)O)c([2H])c1[2H]
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1D,2D,3D,4D,5D
InChIKeyCOLNVLDHVKWLRT-RALIUCGRSA-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)
phenylalanine-d5 (CHEBI:76052) is a deuterated compound (CHEBI:76107)
phenylalanine-d5 (CHEBI:76052) is a non-proteinogenic α-amino acid (CHEBI:83925)
IUPAC Name 
(2,3,4,5,6-H5)phenylalanine
Synonym  Source
2,3,4,5,6-pentadeuteriophenylalanineChEBI
Registry NumbersSources
Reaxys:3965122Reaxys
CAS:56253-90-8Reaxys