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CHEBI:158807 - Ile-Thr-Val

ChEBI IDCHEBI:158807
ChEBI NameIle-Thr-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H29N3O5
Net Charge0
Average Mass331.413
Monoisotopic Mass331.21072
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
InChIInChI=1S/C15H29N3O5/c1-6-8(4)10(16)13(20)18-12(9(5)19)14(21)17-11(7(2)3)15(22)23/h7-12,19H,6,16H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9+,10-,11-,12-/m0/s1
InChIKeyQHUREMVLLMNUAX-OSUNSFLBSA-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-Val (CHEBI:158807) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid