CHEBI:133431 - N-acetylalliin(1−)

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ChEBI Name N-acetylalliin(1−) ChEBI ID CHEBI:133431 ChEBI ASCII Name N-acetylalliin(1-) Definition An α-amino-acid anion that is the conjugate base of N-acetylalliin, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H12NO4S Net Charge -1 Average Mass 218.252 Monoisotopic Mass 218.04925 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 SMILES [S@@](C[C@@H](C([O-])=O)NC(=O)C)(CC=C)=O ChEBI Ontology Outgoing N-acetylalliin(1−) (CHEBI:133431) is a N-acyl-L-α-amino acid anion (CHEBI:59874) N-acetylalliin(1−) (CHEBI:133431) is conjugate base of N-acetylalliin (CHEBI:133430) Incoming N-acetylalliin (CHEBI:133430) is conjugate acid of N-acetylalliin(1−) (CHEBI:133431) IUPAC Name (2R)-2-acetamido-3-[(S)-prop-2-ene-1-sulfinyl]propanoate Synonym Source N-acetylalliin anion ChEBI Last Modified 27 September 2016