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CHEBI:70984 - N-isovalerylglycine

ChEBI IDCHEBI:70984
ChEBI NameN-isovalerylglycine
Stars
ASCII NameN-isovalerylglycine
DefinitionAn N-acylglycine in which the acyl group is specified as isovaleryl.
Last Modified12 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILESCC(C)CC(=O)NCC(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyZRQXMKMBBMNNQC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
N-isovalerylglycine (CHEBI:70984) has role human urinary metabolite (CHEBI:84087)
N-isovalerylglycine (CHEBI:70984) is a N-acylglycine (CHEBI:16180)
N-isovalerylglycine (CHEBI:70984) is conjugate acid of N-isovalerylglycinate (CHEBI:133611)
Incoming Relation(s)
N-isovalerylglycinate (CHEBI:133611) is conjugate base of N-isovalerylglycine (CHEBI:70984)
IUPAC Names 
N-(3-methylbutanoyl)glycine
[(3-methylbutanoyl)amino]acetic acid
Synonyms  Source
N-IsovaleroylglycineHMDB
2-(3-Methylbutanoylamino)ethanoic acidHMDB
isopentanoylglycineChEBI
N-isopentanoylglycineChEBI
isovalerylglycineChEBI
Manual XrefsDatabases
HMDB0000678HMDB
Registry NumbersSources
Reaxys:1766622Reaxys
Citations