EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233300 - fen-G4

ChEBI IDCHEBI:233300
ChEBI Namefen-G4
Stars
DefinitionA secondary carboxamide resulting from the formal condendation of the carboxy group of 5-oxo-5-[(2-{4-[phenyl(propanoyl)amino]piperidin-1-yl}ethyl)amino]pentanoic acid with the amino group of glycylglycylglycylglycine. It is a fentanyl hapten that could potentially be used in a therapeutic vaccine to counteract toxicity from exposure to fentanyl and its derivatives.
Last Modified28 January 2025
SubmitterAdnan
DownloadsMolfile
FormulaC29H43N7O8
Net Charge0
Average Mass617.704
Monoisotopic Mass617.31731
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44)
InChIKeyWBAFWCQXKNZRIF-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
fen-G4 (CHEBI:233300) has role hapten (CHEBI:59174)
fen-G4 (CHEBI:233300) is a anilide (CHEBI:13248)
fen-G4 (CHEBI:233300) is a glycine derivative (CHEBI:24373)
fen-G4 (CHEBI:233300) is a monocarboxylic acid amide (CHEBI:29347)
fen-G4 (CHEBI:233300) is a piperidines (CHEBI:26151)
fen-G4 (CHEBI:233300) is a secondary carboxamide (CHEBI:140325)
fen-G4 (CHEBI:233300) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
N-{5-oxo-5-[(2-{4-[phenyl(propanoyl)amino]piperidin-1-yl}ethyl)amino]pentanoyl}glycylglycylglycylglycine
Manual XrefsDatabases
FD0PDBeChem
WO2021092446Patent
Citations