CHEBI:176458 - Indoleacetylglutamine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Indoleacetylglutamine
ChEBI ID CHEBI:176458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H17N3O4
Net Charge 0
Average Mass 303.318
Monoisotopic Mass 303.12191
InChI InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)8-10-7-9-3-1-2-4-11(9)17-10/h1-4,7,12,17H,5-6,8H2,(H2,16,19)(H,18,20)(H,21,22)/t12-/m0/s1
InChIKey YQHNRQDGQKDKHX-LBPRGKRZSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)CC=1NC=2C(C1)=CC=CC2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing Indoleacetylglutamine (CHEBI:176458) is a glutamine derivative (CHEBI:70813)
IUPAC Name
(2S)-5-amino-2-[[2-(1H-indol-2-yl)acetyl]amino]-5-oxopentanoic acid