EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195434 - PRNB

ChEBI IDCHEBI:195434
ChEBI NamePRNB
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC14H19NO5
Net Charge0
Average Mass281.308
Monoisotopic Mass281.12632
SMILESCC(C)Oc1ccccc1OC(=O)NCCCC(=O)O
InChIInChI=1S/C14H19NO5/c1-10(2)19-11-6-3-4-7-12(11)20-14(18)15-9-5-8-13(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIHYRJPUIYAYCHR-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)
PRNB (CHEBI:195434) has role hapten (CHEBI:59174)
PRNB (CHEBI:195434) is a aromatic ether (CHEBI:35618)
PRNB (CHEBI:195434) is a carbamate ester (CHEBI:23003)
PRNB (CHEBI:195434) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
4-({[2-(propan-2-yloxy)phenoxy]carbonyl}amino)butanoic acid
Synonym  Source
4-[[(2-isopropoxyphenyloxy)carbonyl]amino]butanoic acidChEBI
Citations