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CHEBI:158063 - His-Tyr-His

ChEBI IDCHEBI:158063
ChEBI NameHis-Tyr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N7O5
Net Charge0
Average Mass455.475
Monoisotopic Mass455.19172
SMILESN[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C21H25N7O5/c22-16(6-13-8-23-10-25-13)19(30)27-17(5-12-1-3-15(29)4-2-12)20(31)28-18(21(32)33)7-14-9-24-11-26-14/h1-4,8-11,16-18,29H,5-7,22H2,(H,23,25)(H,24,26)(H,27,30)(H,28,31)(H,32,33)/t16-,17-,18-/m0/s1
InChIKeyQTMKFZAYZKBFRC-BZSNNMDCSA-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-His (CHEBI:158063) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid