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CHEBI:158859 - Ile-Tyr-Gln

ChEBI IDCHEBI:158859
ChEBI NameIle-Tyr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N4O6
Net Charge0
Average Mass422.482
Monoisotopic Mass422.21653
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C20H30N4O6/c1-3-11(2)17(22)19(28)24-15(10-12-4-6-13(25)7-5-12)18(27)23-14(20(29)30)8-9-16(21)26/h4-7,11,14-15,17,25H,3,8-10,22H2,1-2H3,(H2,21,26)(H,23,27)(H,24,28)(H,29,30)/t11-,14-,15-,17-/m0/s1
InChIKeyGNXGAVNTVNOCLL-SIUGBPQLSA-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-Gln (CHEBI:158859) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid