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CHEBI:158450 - Ile-His-Ala

Default Structure
ChEBI IDCHEBI:158450
ChEBI NameIle-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N5O4
Net Charge0
Average Mass339.396
Monoisotopic Mass339.19065
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C15H25N5O4/c1-4-8(2)12(16)14(22)20-11(5-10-6-17-7-18-10)13(21)19-9(3)15(23)24/h6-9,11-12H,4-5,16H2,1-3H3,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t8-,9-,11-,12-/m0/s1
InChIKeyJLWLMGADIQFKRD-QSFUFRPTSA-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-His-Ala (CHEBI:158450) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
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