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CHEBI:195435 - PRNP

Default Structure
ChEBI IDCHEBI:195435
ChEBI NamePRNP
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC13H17NO5
Net Charge0
Average Mass267.281
Monoisotopic Mass267.11067
SMILESCC(C)Oc1ccccc1OC(=O)NCCC(=O)O
InChIInChI=1S/C13H17NO5/c1-9(2)18-10-5-3-4-6-11(10)19-13(17)14-8-7-12(15)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMIHYPQCFVORQIK-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)
PRNP (CHEBI:195435) has role hapten (CHEBI:59174)
PRNP (CHEBI:195435) is a aromatic ether (CHEBI:35618)
PRNP (CHEBI:195435) is a carbamate ester (CHEBI:23003)
PRNP (CHEBI:195435) is a monocarboxylic acid (CHEBI:25384)
PRNP (CHEBI:195435) is a β-alanine derivative (CHEBI:22823)
IUPAC Name 
N-{[2-(propan-2-yloxy)phenoxy]carbonyl}-β-alanine
Synonyms  Source
3-[[(2-isopropoxyphenyloxy)carbonyl]amino]propanoic acidChEBI
3-({[2-(propan-2-yloxy)phenoxy]carbonyl}amino)propanoic acidIUPAC
Citations