EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158712 - Ile-Pro-Met

Default Structure
ChEBI IDCHEBI:158712
ChEBI NameIle-Pro-Met
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)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)O
InChIInChI=1S/C16H29N3O4S/c1-4-10(2)13(17)15(21)19-8-5-6-12(19)14(20)18-11(16(22)23)7-9-24-3/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyCZWANIQKACCEKW-CYDGBPFRSA-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-Pro-Met (CHEBI:158712) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulanylbutanoic acid