CHEBI:89963 - butyrylglycine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butyrylglycine
ChEBI ID CHEBI:89963
Definition A N-acylglycine obtained by formal condensation of the carboxy group of butyric acid with the amino group of glycine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H11NO3
Net Charge 0
Average Mass 145.157
Monoisotopic Mass 145.07389
InChI InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey WPSSBBPLVMTKRN-UHFFFAOYSA-N
SMILES C(CNC(=O)CCC)(=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 butyrylglycinate (CHEBI:132937) is conjugate base of butyrylglycine (CHEBI:89963)
IUPAC Name
N-butanoylglycine
Synonyms Sources
2-butanamidoacetic acid HMDB
2-butyramidoacetic acid ChEBI
butanamidoacetic acid ChEBI
butyramidoacetic acid ChEBI
N-(1-Oxobutyl)glycine HMDB
N-Butyryl-Glycine HMDB
N-Butyrylglycine ChemIDplus
Manual Xref Database
HMDB0000808 HMDB
View more database links
Registry Numbers Types Sources
1766058 Reaxys Registry Number Reaxys
20208-73-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10404733 PubMed citation Europe PMC
7815229 PubMed citation Europe PMC
8548022 PubMed citation Europe PMC
9932958 PubMed citation Europe PMC
Last Modified
08 August 2016