EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166242 - Val-Ile-Ile

ChEBI IDCHEBI:166242
ChEBI NameVal-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H33N3O4
Net Charge0
Average Mass343.468
Monoisotopic Mass343.24711
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C17H33N3O4/c1-7-10(5)13(19-15(21)12(18)9(3)4)16(22)20-14(17(23)24)11(6)8-2/h9-14H,7-8,18H2,1-6H3,(H,19,21)(H,20,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKeyVHRLUTIMTDOVCG-PEDHHIEDSA-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)
Val-Ile-Ile (CHEBI:166242) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid