EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64348 - N-methylvaline

ChEBI IDCHEBI:64348
ChEBI NameN-methylvaline
Stars
ASCII NameN-methylvaline
DefinitionAn N-methylamino acid that is the N-methyl derivative of valine.
Last Modified4 April 2012
SubmitterSteve
DownloadsMolfile
FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESCNC(C(=O)O)C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKeyAKCRVYNORCOYQT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-methylvaline (CHEBI:64348) is a N-methyl-amino acid (CHEBI:21760)
N-methylvaline (CHEBI:64348) is a valine derivative (CHEBI:27267)
Incoming Relation(s)
N-methyl-L-valine (CHEBI:44212) is a N-methylvaline (CHEBI:64348)
IUPAC Name 
N-methylvaline
Synonyms  Source
(S/R)-N-methylvalineChEBI
methylvalineChEBI
MeValChEBI
Manual XrefsDatabases
US6015800Patent
US5622934Patent
Registry NumbersSources
Reaxys:1721711Reaxys
CAS:2566-32-7Reaxys