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CHEBI:176458 - Indoleacetylglutamine

ChEBI IDCHEBI:176458
ChEBI NameIndoleacetylglutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17N3O4
Net Charge0
Average Mass303.318
Monoisotopic Mass303.12191
SMILESNC(=O)CC[C@H](NC(=O)Cc1cc2ccccc2n1)C(=O)O
InChIInChI=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
InChIKeyYQHNRQDGQKDKHX-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
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