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CHEBI:164327 - His-Asp-Ile

ChEBI IDCHEBI:164327
ChEBI NameHis-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25N5O6
Net Charge0
Average Mass383.405
Monoisotopic Mass383.18048
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C16H25N5O6/c1-3-8(2)13(16(26)27)21-15(25)11(5-12(22)23)20-14(24)10(17)4-9-6-18-7-19-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t8-,10-,11-,13-/m0/s1
InChIKeyZJSMFRTVYSLKQU-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)
His-Asp-Ile (CHEBI:164327) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid