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CHEBI:158774 - Ile-Thr-Asp

ChEBI IDCHEBI:158774
ChEBI NameIle-Thr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O7
Net Charge0
Average Mass347.368
Monoisotopic Mass347.16925
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C14H25N3O7/c1-4-6(2)10(15)12(21)17-11(7(3)18)13(22)16-8(14(23)24)5-9(19)20/h6-8,10-11,18H,4-5,15H2,1-3H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1
InChIKeyYCKPUHHMCFSUMD-IUKAMOBKSA-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-Asp (CHEBI:158774) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid