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CHEBI:158521 - Ile-Ile-Thr

ChEBI IDCHEBI:158521
ChEBI NameIle-Ile-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N3O5
Net Charge0
Average Mass345.440
Monoisotopic Mass345.22637
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)CC
InChIInChI=1S/C16H31N3O5/c1-6-8(3)11(17)14(21)18-12(9(4)7-2)15(22)19-13(10(5)20)16(23)24/h8-13,20H,6-7,17H2,1-5H3,(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10+,11-,12-,13-/m0/s1
InChIKeyAXNGDPAKKCEKGY-QPHKQPEJSA-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-Ile-Thr (CHEBI:158521) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
10443032ChemSpider