EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160605 - Asp-His-His

ChEBI IDCHEBI:160605
ChEBI NameAsp-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N7O6
Net Charge0
Average Mass407.387
Monoisotopic Mass407.15533
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H21N7O6/c17-10(3-13(24)25)14(26)22-11(1-8-4-18-6-20-8)15(27)23-12(16(28)29)2-9-5-19-7-21-9/h4-7,10-12H,1-3,17H2,(H,18,20)(H,19,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1
InChIKeyWYOSXGYAKZQPGF-SRVKXCTJSA-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)
Asp-His-His (CHEBI:160605) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid