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CHEBI:157939 - Ala-Ala-Val

Default Structure
ChEBI IDCHEBI:157939
ChEBI NameAla-Ala-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H21N3O4
Net Charge0
Average Mass259.306
Monoisotopic Mass259.15321
SMILESCC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5(2)8(11(17)18)14-10(16)7(4)13-9(15)6(3)12/h5-8H,12H2,1-4H3,(H,13,15)(H,14,16)(H,17,18)/t6-,7-,8-/m0/s1
InChIKeyGJMNLCSOIHOLQZ-FXQIFTODSA-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-Ala-Val (CHEBI:157939) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylbutanoic acid