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CHEBI:158456 - Ile-His-Asp

ChEBI IDCHEBI:158456
ChEBI NameIle-His-Asp
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](Cc1cncn1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C16H25N5O6/c1-3-8(2)13(17)15(25)20-10(4-9-6-18-7-19-9)14(24)21-11(16(26)27)5-12(22)23/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
InChIKeyUQXADIGYEYBJEI-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-His-Asp (CHEBI:158456) 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]butanedioic acid