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CHEBI:161003 - Asp-Tyr-His

ChEBI IDCHEBI:161003
ChEBI NameAsp-Tyr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N5O7
Net Charge0
Average Mass433.421
Monoisotopic Mass433.15975
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C19H23N5O7/c20-13(7-16(26)27)17(28)23-14(5-10-1-3-12(25)4-2-10)18(29)24-15(19(30)31)6-11-8-21-9-22-11/h1-4,8-9,13-15,25H,5-7,20H2,(H,21,22)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t13-,14-,15-/m0/s1
InChIKeyZQFZEBRNAMXXJV-KKUMJFAQSA-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)
Asp-Tyr-His (CHEBI:161003) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid