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CHEBI:89963 - butyrylglycine

ChEBI IDCHEBI:89963
ChEBI Namebutyrylglycine
Stars
DefinitionA N-acylglycine obtained by formal condensation of the carboxy group of butyric acid with the amino group of glycine.
Last Modified8 August 2016
DownloadsMolfile
FormulaC6H11NO3
Net Charge0
Average Mass145.158
Monoisotopic Mass145.07389
SMILESCCCC(=O)NCC(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyWPSSBBPLVMTKRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (10404733)
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)
butyrylglycine (CHEBI:89963) has functional parent butyric acid (CHEBI:30772)
butyrylglycine (CHEBI:89963) has role human urinary metabolite (CHEBI:84087)
butyrylglycine (CHEBI:89963) is a N-acylglycine (CHEBI:16180)
butyrylglycine (CHEBI:89963) is conjugate acid of butyrylglycinate (CHEBI:132937)
Incoming Relation(s)
butyrylglycinate (CHEBI:132937) is conjugate base of butyrylglycine (CHEBI:89963)
IUPAC Name 
N-butanoylglycine
Synonyms  Source
N-(1-Oxobutyl)glycineHMDB
2-butanamidoacetic acidHMDB
N-Butyryl-GlycineHMDB
butanamidoacetic acidChEBI
N-ButyrylglycineChemIDplus
butyramidoacetic acidChEBI
Manual XrefsDatabases
HMDB0000808HMDB
Registry NumbersSources
Reaxys:1766058Reaxys
CAS:20208-73-5ChemIDplus
Citations