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CHEBI:158801 - Ile-Thr-Thr

ChEBI IDCHEBI:158801
ChEBI NameIle-Thr-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O6
Net Charge0
Average Mass333.385
Monoisotopic Mass333.18999
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C14H27N3O6/c1-5-6(2)9(15)12(20)16-10(7(3)18)13(21)17-11(8(4)19)14(22)23/h6-11,18-19H,5,15H2,1-4H3,(H,16,20)(H,17,21)(H,22,23)/t6-,7+,8+,9-,10-,11-/m0/s1
InChIKeyNURNJECQNNCRBK-FLBSBUHZSA-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-Thr (CHEBI:158801) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
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