CHEBI:133735 - N-acetyl-L-isoleucinate

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ChEBI Name N-acetyl-L-isoleucinate ChEBI ID CHEBI:133735 ChEBI ASCII Name N-acetyl-L-isoleucinate Definition A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-isoleucine, 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 C8H14NO3 Net Charge -1 Average Mass 172.202 Monoisotopic Mass 172.09792 InChI InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t5-,7-/m0/s1 InChIKey JDTWZSUNGHMMJM-FSPLSTOPSA-M SMILES [O-]C([C@H]([C@H](CC)C)NC(=O)C)=O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing N-acetyl-L-isoleucinate (CHEBI:133735) has role human metabolite (CHEBI:77746) N-acetyl-L-isoleucinate (CHEBI:133735) is a N-acyl-L-α-amino acid anion (CHEBI:59874) N-acetyl-L-isoleucinate (CHEBI:133735) is a monocarboxylic acid anion (CHEBI:35757) N-acetyl-L-isoleucinate (CHEBI:133735) is conjugate base of N-acetyl-L-isoleucine (CHEBI:21555) Incoming N-acetyl-L-isoleucine (CHEBI:21555) is conjugate acid of N-acetyl-L-isoleucinate (CHEBI:133735) IUPAC Name (2S,3S)-2-acetamido-3-methylpentanoate Synonyms Sources Ac-Ile(1−) ChEBI N-acetylisoleucinate ChEBI Last Modified 14 October 2016