EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166059 - Val-Ala-Asp

ChEBI IDCHEBI:166059
ChEBI NameVal-Ala-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESCC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-5(2)9(13)11(19)14-6(3)10(18)15-7(12(20)21)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
InChIKeyFZSPNKUFROZBSG-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)
Val-Ala-Asp (CHEBI:166059) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]butanedioic acid