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CHEBI:158778 - Ile-Thr-Gln

ChEBI IDCHEBI:158778
ChEBI NameIle-Thr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28N4O6
Net Charge0
Average Mass360.411
Monoisotopic Mass360.20088
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C15H28N4O6/c1-4-7(2)11(17)13(22)19-12(8(3)20)14(23)18-9(15(24)25)5-6-10(16)21/h7-9,11-12,20H,4-6,17H2,1-3H3,(H2,16,21)(H,18,23)(H,19,22)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1
InChIKeyNAFIFZNBSPWYOO-RWRJDSDZSA-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-Gln (CHEBI:158778) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid