EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161024 - Met-Pro-Ile

ChEBI IDCHEBI:161024
ChEBI NameMet-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O4S
Net Charge0
Average Mass359.492
Monoisotopic Mass359.18788
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C16H29N3O4S/c1-4-10(2)13(16(22)23)18-14(20)12-6-5-8-19(12)15(21)11(17)7-9-24-3/h10-13H,4-9,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyQLESZRANMSYLCZ-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)
Met-Pro-Ile (CHEBI:161024) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid