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CHEBI:74911 - methyl N-acetylvalinate

ChEBI IDCHEBI:74911
ChEBI Namemethyl N-acetylvalinate
Stars
ASCII Namemethyl N-acetylvalinate
DefinitionA valine derivative with one of the amine hydrogens replaced by an acetyl group and the carboxylic acid hydrogen replaced by a methyl group.
Last Modified2 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC8H15NO3
Net Charge0
Average Mass173.212
Monoisotopic Mass173.10519
SMILESCOC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)
InChIKeyKCHNPFJMSOGXIT-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-acetylvaline methyl esterChEBI
Ac-Val-OMeChEBI
Registry NumbersSources
Reaxys:1864924Reaxys