EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166221 - Val-His-His

ChEBI IDCHEBI:166221
ChEBI NameVal-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25N7O4
Net Charge0
Average Mass391.432
Monoisotopic Mass391.19680
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H25N7O4/c1-9(2)14(18)16(26)23-12(3-10-5-19-7-21-10)15(25)24-13(17(27)28)4-11-6-20-8-22-11/h5-9,12-14H,3-4,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,26)(H,24,25)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyDHINLYMWMXQGMQ-IHRRRGAJSA-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-His (CHEBI:166221) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Manual XrefsDatabases
58809197ChemSpider