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CHEBI:70979 - N-isobutyrylglycine

ChEBI IDCHEBI:70979
ChEBI NameN-isobutyrylglycine
Stars
ASCII NameN-isobutyrylglycine
DefinitionAn N-acylglycine in which the acyl group is specified as isobutryl.
Last Modified12 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC6H11NO3
Net Charge0
Average Mass145.158
Monoisotopic Mass145.07389
SMILESCC(C)C(=O)NCC(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyDCICDMMXFIELDF-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-isobutyrylglycine (CHEBI:70979) has role human urinary metabolite (CHEBI:84087)
N-isobutyrylglycine (CHEBI:70979) is a N-acylglycine (CHEBI:16180)
N-isobutyrylglycine (CHEBI:70979) is conjugate acid of N-isobutyrylglycinate (CHEBI:133610)
Incoming Relation(s)
N-isobutyrylglycinate (CHEBI:133610) is conjugate base of N-isobutyrylglycine (CHEBI:70979)
IUPAC Names 
[(2-methylpropanoyl)amino]acetic acid
N-(2-methylpropanoyl)glycine
Synonyms  Source
isobutyrylglycineHMDB
isobutanoylglycineChEBI
N-isobutanoylglycineChEBI
Manual XrefsDatabases
HMDB0000730HMDB
Registry NumbersSources
Reaxys:1762789Reaxys
Citations