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CHEBI:141446 - Thr-Ile

ChEBI IDCHEBI:141446
ChEBI NameThr-Ile
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-isoleucine.
Last Modified11 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H20N2O4
Net Charge0
Average Mass232.280
Monoisotopic Mass232.14231
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5(2)8(10(15)16)12-9(14)7(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyLUMXICQAOKVQOB-YWIQKCBGSA-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-Ile (CHEBI:141446) has functional parent L-isoleucine (CHEBI:17191)
Thr-Ile (CHEBI:141446) has functional parent L-threonine (CHEBI:16857)
Thr-Ile (CHEBI:141446) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-threonyl-L-isoleucine
Synonyms  Source
threonylisoleucineSUBMITTER
T-ISUBMITTER
TISUBMITTER
(2S,3S)-2-{[(2S,3R)-2-amino-3-hydroxybutanoyl]amino}-3-methylpentanoic acidIUPAC
T-I dipeptideHMDB
TI dipeptideHMDB
Manual XrefsDatabases
HMDB0029064HMDB
Registry NumbersSources
Reaxys:27312736Reaxys
Citations