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CHEBI:164729 - Trp-Ile-Thr

Default Structure
ChEBI IDCHEBI:164729
ChEBI NameTrp-Ile-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N4O5
Net Charge0
Average Mass418.494
Monoisotopic Mass418.22162
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C21H30N4O5/c1-4-11(2)17(20(28)25-18(12(3)26)21(29)30)24-19(27)15(22)9-13-10-23-16-8-6-5-7-14(13)16/h5-8,10-12,15,17-18,23,26H,4,9,22H2,1-3H3,(H,24,27)(H,25,28)(H,29,30)/t11-,12+,15-,17-,18-/m0/s1
InChIKeyYDTKYBHPRULROG-LTHWPDAASA-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-Ile-Thr (CHEBI:164729) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid