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ChEBI
> Main
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.
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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
(2
S
,3
S
)-2-acetamido-3-methylpentanoate
Synonyms
Sources
Ac-Ile(1−)
ChEBI
N
-acetylisoleucinate
ChEBI
Last Modified
14 October 2016