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CHEBI:158803 - Ile-Thr-Trp

ChEBI IDCHEBI:158803
ChEBI NameIle-Thr-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N4O5
Net Charge0
Average Mass418.494
Monoisotopic Mass418.22162
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)[C@@H](C)O
InChIInChI=1S/C21H30N4O5/c1-4-11(2)17(22)19(27)25-18(12(3)26)20(28)24-16(21(29)30)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23,26H,4,9,22H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)/t11-,12+,16-,17-,18-/m0/s1
InChIKeyKWHFUMYCSPJCFQ-NGTWOADLSA-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)
Ile-Thr-Trp (CHEBI:158803) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid