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CHEBI:70811 - N-(indol-3-ylacetyl)glutamine

ChEBI IDCHEBI:70811
ChEBI NameN-(indol-3-ylacetyl)glutamine
Stars
ASCII NameN-(indol-3-ylacetyl)glutamine
DefinitionA N2-acylglutamine that has indol-3-ylacetyl as the acyl group.
Last Modified12 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC15H17N3O4
Net Charge0
Average Mass303.318
Monoisotopic Mass303.12191
SMILESNC(=O)CCC(NC(=O)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
InChIKeyDVJIJAYHBZALOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
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-(indol-3-ylacetyl)glutamine (CHEBI:70811) has functional parent indole-3-acetic acid (CHEBI:16411)
N-(indol-3-ylacetyl)glutamine (CHEBI:70811) has role human urinary metabolite (CHEBI:84087)
N-(indol-3-ylacetyl)glutamine (CHEBI:70811) is a N2-acylglutamine (CHEBI:83985)
N-(indol-3-ylacetyl)glutamine (CHEBI:70811) is conjugate acid of N-(indol-3-ylacetyl)glutaminate (CHEBI:133730)
Incoming Relation(s)
N-(indol-3-ylacetyl)glutaminate (CHEBI:133730) is conjugate base of N-(indol-3-ylacetyl)glutamine (CHEBI:70811)
IUPAC Names 
5-amino-2-[(1H-indol-3-ylacetyl)amino]-5-oxopentanoic acid
N2-(1H-indol-3-ylacetyl)glutamine
Synonyms  Source
3-IAA glutamineHMDB
N-indoleacetylglutamineChEBI
indole-3-acetyl-glutamineChEBI
Manual XrefsDatabases
HMDB0013240HMDB
Citations