CHEBI:21553 - N-acetyl-L-glutamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-L-glutamine
ChEBI ID CHEBI:21553
ChEBI ASCII Name N-acetyl-L-glutamine
Definition An N2-acetylglutamine that has L-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44561
Supplier Information
Download Molfile XML SDF
Formula C7H12N2O4
Net Charge 0
Average Mass 188.18120
Monoisotopic Mass 188.07971
InChI InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1
InChIKey KSMRODHGGIIXDV-YFKPBYRVSA-N
SMILES CC(=O)N[C@@H](CCC(N)=O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) 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 metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
(via N(2)-acetylglutamine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-L-glutamine (CHEBI:21553) has role human metabolite (CHEBI:77746)
N-acetyl-L-glutamine (CHEBI:21553) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-glutamine (CHEBI:21553) is a N2-acetylglutamine (CHEBI:73685)
N-acetyl-L-glutamine (CHEBI:21553) is a N2-acyl-L-glutamine (CHEBI:17008)
IUPAC Names
(2S)-2-(acetylamino)-5-amino-5-oxopentanoic acid
NN2-acetyl-L-glutamine
Synonym Source
N~2~-acetyl-L-glutamine PDBeChem
Manual Xrefs Databases
46 DrugCentral
CN101468955 Patent
HMDB0006029 HMDB
NLQ PDBeChem
View more database links
Registry Numbers Types Sources
1727471 Reaxys Registry Number Reaxys
35305-74-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11312773 PubMed citation Europe PMC
15331932 PubMed citation Europe PMC
17253138 PubMed citation Europe PMC
5747861 PubMed citation Europe PMC
Last Modified
22 February 2017