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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (R)C(S)S-Alliin
ChEBI ID CHEBI:173816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H11NO3S
Net Charge 0
Average Mass 177.220
Monoisotopic Mass 177.04596
InChI InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKey XUHLIQGRKRUKPH-UHFFFAOYSA-N
SMILES S(=O)(CC(N)C(O)=O)CC=C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)C(S)S-Alliin (CHEBI:173816) is a α-amino acid (CHEBI:33704)
IUPAC Name
2-amino-3-prop-2-enylsulinylpropanoic acid
Manual Xrefs Databases
108767 ChemSpider
HMDB0033592 HMDB
View more database links
Registry Number Type Source
17795-27-6 CAS Registry Number ChemIDplus