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CHEBI:161027 - Asp-Val-Ala

ChEBI IDCHEBI:161027
ChEBI NameAsp-Val-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-5(2)9(11(19)14-6(3)12(20)21)15-10(18)7(13)4-8(16)17/h5-7,9H,4,13H2,1-3H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyXWKBWZXGNXTDKY-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)
Asp-Val-Ala (CHEBI:161027) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
61713257ChemSpider