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CHEBI:158845 - Ile-Trp-Tyr

ChEBI IDCHEBI:158845
ChEBI NameIle-Trp-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N4O5
Net Charge0
Average Mass480.565
Monoisotopic Mass480.23727
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15-,21-,22-,23-/m0/s1
InChIKeyMITYXXNZSZLHGG-OBAATPRFSA-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-Trp-Tyr (CHEBI:158845) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid