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CHEBI:77819 - β-(2-thienyl)-D-alanine

ChEBI IDCHEBI:77819
ChEBI Nameβ-(2-thienyl)-D-alanine
Stars
ASCII Namebeta-(2-thienyl)-D-alanine
DefinitionAn alanine derivative that is D-alanine in which one of the methyl hydrogens is replaced by a 2-thienyl group.
Last Modified28 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H9NO2S
Net Charge0
Average Mass171.221
Monoisotopic Mass171.03540
SMILESN[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
InChIKeyWTOFYLAWDLQMBZ-ZCFIWIBFSA-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-(2-thienyl)-D-alanine (CHEBI:77819) has functional parent D-alanine (CHEBI:15570)
β-(2-thienyl)-D-alanine (CHEBI:77819) is a D-α-amino acid (CHEBI:16733)
β-(2-thienyl)-D-alanine (CHEBI:77819) is a thiophenes (CHEBI:26961)
IUPAC Name 
3-(2-thienyl)-D-alanine
Synonyms  Source
β-(2-thiophenyl)-D-alanineChEBI
3-(2-thiophenyl)-D-alanineChEBI
(2R)-2-amino-3-(2-thienyl)propanoic acidIUPAC
Registry NumbersSources
Reaxys:82873Reaxys