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CHEBI:158508 - Ile-Ile-Ile

ChEBI IDCHEBI:158508
ChEBI NameIle-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H35N3O4
Net Charge0
Average Mass357.495
Monoisotopic Mass357.26276
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C18H35N3O4/c1-7-10(4)13(19)16(22)20-14(11(5)8-2)17(23)21-15(18(24)25)12(6)9-3/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t10-,11-,12-,13-,14-,15-/m0/s1
InChIKeyBBQABUDWDUKJMB-LZXPERKUSA-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-Ile (CHEBI:158508) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
5677072ChemSpider