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N-acetylalliin(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_133431

An alpha-amino-acid anion that is the conjugate base of N-acetylalliin, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

N-acetylalliin(1-)

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

3_STAR

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

charge

-1

formula

C8H12NO4S

has obo namespace

chebi_ontology

has related synonym

N-acetylalliin anion

id

CHEBI:133431

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)/p-1/t7-,14-/m0/s1

inchikey

CCCNUHFRBBIFHO-WJWGPLDTSA-M

mass

218.252

monoisotopicmass

218.04925

smiles

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