EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:158459 - Ile-His-Gln

ChEBI IDCHEBI:158459
ChEBI NameIle-His-Gln
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](Cc1cncn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C17H28N6O5/c1-3-9(2)14(19)16(26)23-12(6-10-7-20-8-21-10)15(25)22-11(17(27)28)4-5-13(18)24/h7-9,11-12,14H,3-6,19H2,1-2H3,(H2,18,24)(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t9-,11-,12-,14-/m0/s1
InChIKeyHYLIOBDWPQNLKI-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-His-Gln (CHEBI:158459) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid