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CHEBI:195433 - BFNB

ChEBI IDCHEBI:195433
ChEBI NameBFNB
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC15H19NO5
Net Charge0
Average Mass293.319
Monoisotopic Mass293.12632
SMILESCC1(C)Cc2cccc(OC(=O)NCCCC(=O)O)c2O1
InChIInChI=1S/C15H19NO5/c1-15(2)9-10-5-3-6-11(13(10)21-15)20-14(19)16-8-4-7-12(17)18/h3,5-6H,4,7-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKRLRNENWNQPSPG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
BFNB (CHEBI:195433) has role hapten (CHEBI:59174)
BFNB (CHEBI:195433) is a 1-benzofurans (CHEBI:38830)
BFNB (CHEBI:195433) is a carbamate ester (CHEBI:23003)
BFNB (CHEBI:195433) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
4-({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}amino)butanoic acid
Synonym  Source
4-[[(2,3-dihydro-2,2-dimethyl-7-benzofuranyloxy)carbonyl]-amino]butanoic acidChEBI
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