EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158550 - Ile-Leu-Leu

ChEBI IDCHEBI:158550
ChEBI NameIle-Leu-Leu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H35N3O4
Net Charge0
Average Mass357.495
Monoisotopic Mass357.26276
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C18H35N3O4/c1-7-12(6)15(19)17(23)20-13(8-10(2)3)16(22)21-14(18(24)25)9-11(4)5/h10-15H,7-9,19H2,1-6H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-,15-/m0/s1
InChIKeyHPCFRQWLTRDGHT-AJNGGQMLSA-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-Leu (CHEBI:158550) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
25053555ChemSpider