EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160863 - Met-Leu-Ile

Default Structure
ChEBI IDCHEBI:160863
ChEBI NameMet-Leu-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H33N3O4S
Net Charge0
Average Mass375.535
Monoisotopic Mass375.21918
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C17H33N3O4S/c1-6-11(4)14(17(23)24)20-16(22)13(9-10(2)3)19-15(21)12(18)7-8-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12-,13-,14-/m0/s1
InChIKeyOSZTUONKUMCWEP-XUXIUFHCSA-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)
Met-Leu-Ile (CHEBI:160863) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid