EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163906 - Thr-Gly-Ile

ChEBI IDCHEBI:163906
ChEBI NameThr-Gly-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5
Net Charge0
Average Mass289.332
Monoisotopic Mass289.16377
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-6(2)10(12(19)20)15-8(17)5-14-11(18)9(13)7(3)16/h6-7,9-10,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,9-,10-/m0/s1
InChIKeyIMULJHHGAUZZFE-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)
Thr-Gly-Ile (CHEBI:163906) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylpentanoic acid