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alliin zwitterion

Go to external page http://purl.obolibrary.org/obo/CHEBI_132987

An L-alpha-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.

Term info

Label

alliin zwitterion

Synonyms
  • (2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
Subsets

3_STAR

IUPAC NAME
(2R)-2-azaniumyl-3-[(S)-prop-2-ene-1-sulfinyl]propanoate [ IUPAC ]

charge

0

formula

C6H11NO3S

has obo namespace

chebi_ontology

id

CHEBI:132987

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)[NH3+])(CC=C)=O