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CHEBI:166116 - Val-Asp-Asp

ChEBI IDCHEBI:166116
ChEBI NameVal-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O8
Net Charge0
Average Mass347.324
Monoisotopic Mass347.13286
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O8/c1-5(2)10(14)12(22)15-6(3-8(17)18)11(21)16-7(13(23)24)4-9(19)20/h5-7,10H,3-4,14H2,1-2H3,(H,15,22)(H,16,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,10-/m0/s1
InChIKeyHZYOWMGWKKRMBZ-BYULHYEWSA-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-Asp-Asp (CHEBI:166116) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
Manual XrefsDatabases
57478638ChemSpider