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CHEBI:158780 - Ile-Thr-Glu

Default Structure
ChEBI IDCHEBI:158780
ChEBI NameIle-Thr-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N3O7
Net Charge0
Average Mass361.395
Monoisotopic Mass361.18490
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C15H27N3O7/c1-4-7(2)11(16)13(22)18-12(8(3)19)14(23)17-9(15(24)25)5-6-10(20)21/h7-9,11-12,19H,4-6,16H2,1-3H3,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1
InChIKeyCOWHUQXTSYTKQC-RWRJDSDZSA-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-Thr-Glu (CHEBI:158780) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid