Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:133716 -
N
-acetyl-
L
-valinate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
-acetyl-
L
-valinate
ChEBI ID
CHEBI:133716
ChEBI ASCII Name
N-acetyl-L-valinate
Definition
A monocarboxylic acid anion that is the conjugate base of
N
-acetyl-
L
-valine, 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
C7H12NO3
Net Charge
-1
Average Mass
158.175
Monoisotopic Mass
158.08227
InChI
InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/p-1/t6-/m0/s1
InChIKey
IHYJTAOFMMMOPX-LURJTMIESA-M
SMILES
O=C([O-])[C@@H](NC(=O)C)C(C)C
ChEBI Ontology
Outgoing
N
-acetyl-
L
-valinate (
CHEBI:133716
)
is a
N
-acyl-
L
-α-amino acid anion (
CHEBI:59874
)
N
-acetyl-
L
-valinate (
CHEBI:133716
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
N
-acetyl-
L
-valinate (
CHEBI:133716
)
is conjugate base of
N
-acetyl-
L
-valine (
CHEBI:21565
)
Incoming
N
-acetyl-
L
-valine (
CHEBI:21565
)
is conjugate acid of
N
-acetyl-
L
-valinate (
CHEBI:133716
)
IUPAC Name
(2
S
)-2-acetamido-3-methylbutanoate
Synonyms
Sources
N
-acetyl-
L
-valine
UniProt
N
-acetylvalinate
ChEBI
Registry Number
Type
Source
3941937
Reaxys Registry Number
Reaxys
Last Modified
08 August 2024