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CHEBI:166064 - Val-Ala-Ile

ChEBI IDCHEBI:166064
ChEBI NameVal-Ala-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4
Net Charge0
Average Mass301.387
Monoisotopic Mass301.20016
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-6-8(4)11(14(20)21)17-12(18)9(5)16-13(19)10(15)7(2)3/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyLTFLDDDGWOVIHY-NAKRPEOUSA-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)
Val-Ala-Ile (CHEBI:166064) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid