EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158540 - Ile-Leu-Gln

ChEBI IDCHEBI:158540
ChEBI NameIle-Leu-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H32N4O5
Net Charge0
Average Mass372.466
Monoisotopic Mass372.23727
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C17H32N4O5/c1-5-10(4)14(19)16(24)21-12(8-9(2)3)15(23)20-11(17(25)26)6-7-13(18)22/h9-12,14H,5-8,19H2,1-4H3,(H2,18,22)(H,20,23)(H,21,24)(H,25,26)/t10-,11-,12-,14-/m0/s1
InChIKeyYGDWPQCLFJNMOL-MNXVOIDGSA-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-Leu-Gln (CHEBI:158540) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid