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CHEBI:133735 - N-acetyl-L-isoleucinate

ChEBI IDCHEBI:133735
ChEBI NameN-acetyl-L-isoleucinate
Stars
ASCII NameN-acetyl-L-isoleucinate
DefinitionA 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.
Last Modified8 August 2024
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H14NO3
Net Charge-1
Average Mass172.204
Monoisotopic Mass172.09792
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)[O-]
InChIInChI=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
InChIKeyJDTWZSUNGHMMJM-FSPLSTOPSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Ac-Ile(1−)ChEBI
N-acetylisoleucinateChEBI
UniProt Name  Source
N-acetyl-L-isoleucineUniProt