EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:141441 - Ile-Thr

ChEBI IDCHEBI:141441
ChEBI NameIle-Thr
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-threonine.
Last Modified10 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H20N2O4
Net Charge0
Average Mass232.280
Monoisotopic Mass232.14231
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C10H20N2O4/c1-4-5(2)7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyDRCKHKZYDLJYFQ-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)
Ile-Thr (CHEBI:141441) has functional parent L-isoleucine (CHEBI:17191)
Ile-Thr (CHEBI:141441) has functional parent L-threonine (CHEBI:16857)
Ile-Thr (CHEBI:141441) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-isoleucyl-L-threonine
Synonyms  Source
isoleucylthreonineSUBMITTER
I-TSUBMITTER
ITSUBMITTER
(2S,3R)-2-{[(2S,3S)-2-amino-3-methylpentanoyl]amino}-3-hydroxybutanoic acidIUPAC
IT dipeptideHMDB
isoleucine threonine dipeptideHMDB
Manual XrefsDatabases
HMDB0028917HMDB
EP2161029Patent
Registry NumbersSources
Reaxys:27312738Reaxys