CHEBI:132987 - alliin zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alliin zwitterion
ChEBI ID CHEBI:132987
Definition An L-α-amino acid zwitterion that is allin in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H11NO3S
Net Charge 0
Average Mass 177.223
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)/t5-,11-/m0/s1
InChIKey XUHLIQGRKRUKPH-DYEAUMGKSA-N
SMILES [S@@](C[C@@H](C([O-])=O)[NH3+])(CC=C)=O
Metabolite of Species Details
Allium sativum (NCBI:txid4682) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alliin zwitterion (CHEBI:132987) has role antimicrobial agent (CHEBI:33281)
alliin zwitterion (CHEBI:132987) has role antioxidant (CHEBI:22586)
alliin zwitterion (CHEBI:132987) has role cardioprotective agent (CHEBI:77307)
alliin zwitterion (CHEBI:132987) has role neuroprotective agent (CHEBI:63726)
alliin zwitterion (CHEBI:132987) has role plant metabolite (CHEBI:76924)
alliin zwitterion (CHEBI:132987) is a L-α-amino acid zwitterion (CHEBI:59869)
alliin zwitterion (CHEBI:132987) is tautomer of alliin (CHEBI:2596)
Incoming alliin (CHEBI:2596) is tautomer of alliin zwitterion (CHEBI:132987)
IUPAC Name
(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
Synonym Source
alliin UniProt
Last Modified
24 August 2017