EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166213 - Val-His-Ala

Default Structure
ChEBI IDCHEBI:166213
ChEBI NameVal-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N5O4
Net Charge0
Average Mass325.369
Monoisotopic Mass325.17500
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H23N5O4/c1-7(2)11(15)13(21)19-10(4-9-5-16-6-17-9)12(20)18-8(3)14(22)23/h5-8,10-11H,4,15H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t8-,10-,11-/m0/s1
InChIKeyFEFZWCSXEMVSPO-LSJOCFKGSA-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-His-Ala (CHEBI:166213) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid