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CHEBI:158264 - Ile-Asp-His

ChEBI IDCHEBI:158264
ChEBI NameIle-Asp-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25N5O6
Net Charge0
Average Mass383.405
Monoisotopic Mass383.18048
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H25N5O6/c1-3-8(2)13(17)15(25)20-10(5-12(22)23)14(24)21-11(16(26)27)4-9-6-18-7-19-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H,18,19)(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t8-,10-,11-,13-/m0/s1
InChIKeyJQLFYZMEXFNRFS-DJFWLOJKSA-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-Asp-His (CHEBI:158264) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid