Terminology Service for NFDI4Health
alliin
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http://purl.obolibrary.org/obo/CHEBI_2596
An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.
Term info
Label
alliin
Synonyms
- 3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine
- Alliin
Subsets
3_STAR
charge
0
formula
C6H11NO3S
has obo namespace
chebi_ontology
has related synonym
(+)-L-Alliin, (S)-S-Allyl-L-cysteine sulfoxide, S-allyl-L-cysteine sulfoxide, S-Allyl-L-cystein-S-oxide, 3-(Allylsulfinyl)alanine, (S)-3-(Allylsulphinyl)-L-alanine
id
CHEBI:2596
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
mass
177.223
monoisotopicmass
177.04596
smiles
[S@@](C[C@@H](C(O)=O)N)(CC=C)=O
Term relations
Subclass of:
- non-proteinogenic alpha-amino acid
- sulfoxide
- L-cysteine derivative
- olefinic compound
- L-alanine derivative
- has role some antimicrobial agent
- is tautomer of some alliin zwitterion
- has role some antioxidant
- has role some cardioprotective agent
- has role some neuroprotective agent
- has role some plant metabolite