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N-acetylalliin

Go to external page http://purl.obolibrary.org/obo/CHEBI_133430

An L-alanine derivative in which one of the methyl hydrogens of N-acetyl-L-alanine has been replaced by an (S)-allylsulfinyl group.

Term info

Label

N-acetylalliin

Synonyms
  • N-acetyl-3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine
Subsets

3_STAR

IUPAC NAME
N-acetyl-3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine [ IUPAC ]

charge

0

formula

C8H13NO4S

has obo namespace

chebi_ontology

id

CHEBI:133430

inchi

InChI=1S/C8H13NO4S/c1-3-4-14(13)5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-,14-/m0/s1

inchikey

CCCNUHFRBBIFHO-WJWGPLDTSA-N

mass

219.260

monoisotopicmass

219.05653

smiles

[S@@](C[C@@H](C(O)=O)NC(=O)C)(CC=C)=O