CHEBI:141446 - Thr-Ile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thr-Ile
ChEBI ID CHEBI:141446
Definition A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-isoleucine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C10H20N2O4
Net Charge 0
Average Mass 232.277
Monoisotopic Mass 232.14231
InChI InChI=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
InChIKey LUMXICQAOKVQOB-YWIQKCBGSA-N
SMILES C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)[C@@H](C)CC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2S,3S)-2-{[(2S,3R)-2-amino-3-hydroxybutanoyl]amino}-3-methylpentanoic acid IUPAC
T-I SUBMITTER
T-I dipeptide HMDB
threonine isoleucine dipeptide HMDB
threonylisoleucine SUBMITTER
TI SUBMITTER
TI dipeptide HMDB
Manual Xref Database
HMDB0029064 HMDB
View more database links
Registry Number Type Source
27312736 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
28351802 PubMed citation Europe PMC
Last Modified
11 October 2018