EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158260 - Ile-Asp-Glu

ChEBI IDCHEBI:158260
ChEBI NameIle-Asp-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N3O8
Net Charge0
Average Mass375.378
Monoisotopic Mass375.16416
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C15H25N3O8/c1-3-7(2)12(16)14(24)18-9(6-11(21)22)13(23)17-8(15(25)26)4-5-10(19)20/h7-9,12H,3-6,16H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKeyIDAHFEPYTJJZFD-PEFMBERDSA-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-Asp-Glu (CHEBI:158260) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid