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CHEBI:162900 - Glu-Glu-Trp

Default Structure
ChEBI IDCHEBI:162900
ChEBI NameGlu-Glu-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26N4O8
Net Charge0
Average Mass462.459
Monoisotopic Mass462.17506
SMILESN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H26N4O8/c22-13(5-7-17(26)27)19(30)24-15(6-8-18(28)29)20(31)25-16(21(32)33)9-11-10-23-14-4-2-1-3-12(11)14/h1-4,10,13,15-16,23H,5-9,22H2,(H,24,30)(H,25,31)(H,26,27)(H,28,29)(H,32,33)/t13-,15-,16-/m0/s1
InChIKeyQYPKJXSMLMREKF-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)
Glu-Glu-Trp (CHEBI:162900) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid