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CHEBI:158659 - Ala-Val-Ile

ChEBI IDCHEBI:158659
ChEBI NameAla-Val-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC14H27N3O4
Net Charge0
Average Mass301.387
Monoisotopic Mass301.20016
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-6-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyLYILPUNCKACNGF-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)
Ala-Val-Ile (CHEBI:158659) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
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