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CHEBI:182413 - 3-(Allylsulphinyl)-L-alanine

ChEBI IDCHEBI:182413
ChEBI Name3-(Allylsulphinyl)-L-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H11NO3S
Net Charge0
Average Mass177.225
Monoisotopic Mass177.04596
SMILESC=CCS(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1
InChIKeyXUHLIQGRKRUKPH-ITZCMCNPSA-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)
3-(Allylsulphinyl)-L-alanine (CHEBI:182413) is a L-α-amino acid (CHEBI:15705)
IUPAC Name 
(2R)-2-amino-3-prop-2-enylsulinylpropanoic acid
Manual XrefsDatabases
78760ChemSpider
C08265KEGG COMPOUND
Registry NumbersSources
CAS:17795-26-5ChemIDplus