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CHEBI:164407 - His-Gln-Ile

Default Structure
ChEBI IDCHEBI:164407
ChEBI NameHis-Gln-Ile
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](CCC(N)=O)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C17H28N6O5/c1-3-9(2)14(17(27)28)23-16(26)12(4-5-13(19)24)22-15(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,22,25)(H,23,26)(H,27,28)/t9-,11-,12-,14-/m0/s1
InChIKeyNNBWMLHQXBTIIT-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-Gln-Ile (CHEBI:164407) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid