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CHEBI:173816 - (R)C(S)S-Alliin

Default Structure
ChEBI IDCHEBI:173816
ChEBI Name(R)C(S)S-Alliin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H11NO3S
Net Charge0
Average Mass177.225
Monoisotopic Mass177.04596
SMILESC=CCS(=O)CC(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)
InChIKeyXUHLIQGRKRUKPH-UHFFFAOYSA-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)C(S)S-Alliin (CHEBI:173816) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-3-prop-2-enylsulinylpropanoic acid
Manual XrefsDatabases
108767ChemSpider
HMDB0033592HMDB
Registry NumbersSources
CAS:17795-27-6ChemIDplus