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CHEBI:132987 - alliin zwitterion

ChEBI IDCHEBI:132987
ChEBI Namealliin zwitterion
Stars
DefinitionAn 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.
Last Modified24 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H11NO3S
Net Charge0
Average Mass177.225
Monoisotopic Mass177.04596
SMILESC=CC[S@](=O)C[C@H]([NH3+])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-DYEAUMGKSA-N
Species of MetaboliteComponentSourceComments
Allium sativum (ncbitaxon:4682) leaf (BTO:0000713) PubMed (17262437)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
alliin (CHEBI:2596) is tautomer of alliin zwitterion (CHEBI:132987)
IUPAC Name 
(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
UniProt Name  Source
alliinUniProt