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CHEBI:158057 - His-Tyr-Gln

ChEBI IDCHEBI:158057
ChEBI NameHis-Tyr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N6O6
Net Charge0
Average Mass446.464
Monoisotopic Mass446.19138
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C20H26N6O6/c21-14(8-12-9-23-10-24-12)18(29)26-16(7-11-1-3-13(27)4-2-11)19(30)25-15(20(31)32)5-6-17(22)28/h1-4,9-10,14-16,27H,5-8,21H2,(H2,22,28)(H,23,24)(H,25,30)(H,26,29)(H,31,32)/t14-,15-,16-/m0/s1
InChIKeyWSWAUVHXQREQQG-JYJNAYRXSA-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)
His-Tyr-Gln (CHEBI:158057) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid