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CHEBI:158052 - Ala-Asp-Val

Default Structure
ChEBI IDCHEBI:158052
ChEBI NameAla-Asp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-5(2)9(12(20)21)15-11(19)7(4-8(16)17)14-10(18)6(3)13/h5-7,9H,4,13H2,1-3H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyIKKVASZHTMKJIR-ZKWXMUAHSA-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-Asp-Val (CHEBI:158052) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
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