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CHEBI:158221 - Ala-His-Ile

ChEBI IDCHEBI:158221
ChEBI NameAla-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N5O4
Net Charge0
Average Mass339.396
Monoisotopic Mass339.19065
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C15H25N5O4/c1-4-8(2)12(15(23)24)20-14(22)11(19-13(21)9(3)16)5-10-6-17-7-18-10/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
InChIKeyJEPNLGMEZMCFEX-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)
Ala-His-Ile (CHEBI:158221) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid