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CHEBI:164559 - His-Ile-Gln

Default Structure
ChEBI IDCHEBI:164559
ChEBI NameHis-Ile-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28N6O5
Net Charge0
Average Mass396.448
Monoisotopic Mass396.21212
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C17H28N6O5/c1-3-9(2)14(16(26)22-12(17(27)28)4-5-13(19)24)23-15(25)11(18)6-10-7-20-8-21-10/h7-9,11-12,14H,3-6,18H2,1-2H3,(H2,19,24)(H,20,21)(H,22,26)(H,23,25)(H,27,28)/t9-,11-,12-,14-/m0/s1
InChIKeyWJGSTIMGSIWHJX-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)
His-Ile-Gln (CHEBI:164559) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid