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CHEBI:158490 - Ile-Ile-Ala

ChEBI IDCHEBI:158490
ChEBI NameIle-Ile-Ala
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H29N3O4
Net Charge0
Average Mass315.414
Monoisotopic Mass315.21581
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C15H29N3O4/c1-6-8(3)11(16)13(19)18-12(9(4)7-2)14(20)17-10(5)15(21)22/h8-12H,6-7,16H2,1-5H3,(H,17,20)(H,18,19)(H,21,22)/t8-,9-,10-,11-,12-/m0/s1
InChIKeyWIZPFZKOFZXDQG-HTFCKZLJSA-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-Ala (CHEBI:158490) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
Manual XrefsDatabases
8216973ChemSpider