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CHEBI:158346 - Ile-Gln-His

ChEBI IDCHEBI:158346
ChEBI NameIle-Gln-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28N6O5
Net Charge0
Average Mass396.448
Monoisotopic Mass396.21212
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H28N6O5/c1-3-9(2)14(19)16(26)22-11(4-5-13(18)24)15(25)23-12(17(27)28)6-10-7-20-8-21-10/h7-9,11-12,14H,3-6,19H2,1-2H3,(H2,18,24)(H,20,21)(H,22,26)(H,23,25)(H,27,28)/t9-,11-,12-,14-/m0/s1
InChIKeyZGGWRNBSBOHIGH-HVTMNAMFSA-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-Gln-His (CHEBI:158346) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid