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CHEBI:158087 - His-Val-Ala

Default Structure
ChEBI IDCHEBI:158087
ChEBI NameHis-Val-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N5O4
Net Charge0
Average Mass325.369
Monoisotopic Mass325.17500
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H23N5O4/c1-7(2)11(13(21)18-8(3)14(22)23)19-12(20)10(15)4-9-5-16-6-17-9/h5-8,10-11H,4,15H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)(H,22,23)/t8-,10-,11-/m0/s1
InChIKeyKFQDSSNYWKZFOO-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)
His-Val-Ala (CHEBI:158087) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid