EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166440 - Val-Val-His

ChEBI IDCHEBI:166440
ChEBI NameVal-Val-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27N5O4
Net Charge0
Average Mass353.423
Monoisotopic Mass353.20630
SMILESCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cncn1)C(=O)O)C(C)C
InChIInChI=1S/C16H27N5O4/c1-8(2)12(17)14(22)21-13(9(3)4)15(23)20-11(16(24)25)5-10-6-18-7-19-10/h6-9,11-13H,5,17H2,1-4H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1
InChIKeySSKKGOWRPNIVDW-AVGNSLFASA-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-Val-His (CHEBI:166440) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid