EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158624 - Ile-Met-Gly

ChEBI IDCHEBI:158624
ChEBI NameIle-Met-Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O4S
Net Charge0
Average Mass319.427
Monoisotopic Mass319.15658
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)O
InChIInChI=1S/C13H25N3O4S/c1-4-8(2)11(14)13(20)16-9(5-6-21-3)12(19)15-7-10(17)18/h8-9,11H,4-7,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)/t8-,9-,11-/m0/s1
InChIKeyFJWALBCCVIHZBS-QXEWZRGKSA-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-Gly (CHEBI:158624) is a tripeptide (CHEBI:47923)
IUPAC Name 
2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]acetic acid