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CHEBI:164082 - Thr-Lys-Trp

Default Structure
ChEBI IDCHEBI:164082
ChEBI NameThr-Lys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31N5O5
Net Charge0
Average Mass433.509
Monoisotopic Mass433.23252
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H31N5O5/c1-12(27)18(23)20(29)25-16(8-4-5-9-22)19(28)26-17(21(30)31)10-13-11-24-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16-18,24,27H,4-5,8-10,22-23H2,1H3,(H,25,29)(H,26,28)(H,30,31)/t12-,16+,17+,18+/m1/s1
InChIKeyQFCQNHITJPRQTB-IEGACIPQSA-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)
Thr-Lys-Trp (CHEBI:164082) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid