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CHEBI:158887 - Ile-Tyr-Val

ChEBI IDCHEBI:158887
ChEBI NameIle-Tyr-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O5
Net Charge0
Average Mass393.484
Monoisotopic Mass393.22637
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C20H31N3O5/c1-5-12(4)16(21)19(26)22-15(10-13-6-8-14(24)9-7-13)18(25)23-17(11(2)3)20(27)28/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKeyWRDTXMBPHMBGIB-STECZYCISA-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-Tyr-Val (CHEBI:158887) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
10443973ChemSpider