EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158638 - Ile-Met-Pro

ChEBI IDCHEBI:158638
ChEBI NameIle-Met-Pro
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O4S
Net Charge0
Average Mass359.492
Monoisotopic Mass359.18788
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H29N3O4S/c1-4-10(2)13(17)14(20)18-11(7-9-24-3)15(21)19-8-5-6-12(19)16(22)23/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,11-,12+,13-/m0/s1
InChIKeyFTUZWJVSNZMLPI-RVMXOQNASA-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-Met-Pro (CHEBI:158638) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]pyrrolidine-2-carboxylic acid