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CHEBI:164644 - Trp-Glu-Gln

Default Structure
ChEBI IDCHEBI:164644
ChEBI NameTrp-Glu-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27N5O7
Net Charge0
Average Mass461.475
Monoisotopic Mass461.19105
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H27N5O7/c22-13(9-11-10-24-14-4-2-1-3-12(11)14)19(30)25-15(6-8-18(28)29)20(31)26-16(21(32)33)5-7-17(23)27/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t13-,15-,16-/m0/s1
InChIKeyPHNBFZBKLWEBJN-BPUTZDHNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trp-Glu-Gln (CHEBI:164644) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid