CHEBI:74911 - methyl N-acetylvalinate

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ChEBI Name methyl N-acetylvalinate
ChEBI ID CHEBI:74911
ChEBI ASCII Name methyl N-acetylvalinate
Definition A valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H15NO3
Net Charge 0
Average Mass 173.20960
Monoisotopic Mass 173.10519
InChI InChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)
InChIKey KCHNPFJMSOGXIT-UHFFFAOYSA-N
SMILES COC(=O)C(NC(C)=O)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl N-acetylvalinate (CHEBI:74911) has role metabolite (CHEBI:25212)
methyl N-acetylvalinate (CHEBI:74911) is a valine derivative (CHEBI:27267)
IUPAC Name
methyl N-acetylvalinate
Synonyms Sources
Ac-Val-OMe ChEBI
N-acetylvaline methyl ester ChEBI
Registry Number Type Source
1864924 Reaxys Registry Number Reaxys
Last Modified
02 September 2013