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ChEBI
> Main
CHEBI:132987 - alliin zwitterion
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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.
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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
(2
R
)-2-azaniumyl-3-[(
S
)-prop-2-ene-1-sulfinyl]propanoate
Synonym
Source
alliin
UniProt
Last Modified
24 August 2017