EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158782 - Ile-Thr-Gly

ChEBI IDCHEBI:158782
ChEBI NameIle-Thr-Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5
Net Charge0
Average Mass289.332
Monoisotopic Mass289.16377
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O
InChIInChI=1S/C12H23N3O5/c1-4-6(2)9(13)11(19)15-10(7(3)16)12(20)14-5-8(17)18/h6-7,9-10,16H,4-5,13H2,1-3H3,(H,14,20)(H,15,19)(H,17,18)/t6-,7+,9-,10-/m0/s1
InChIKeyYBKKLDBBPFIXBQ-MBLNEYKQSA-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-Gly (CHEBI:158782) is a tripeptide (CHEBI:47923)
IUPAC Name 
2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid