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CHEBI:73187 - 6β-[(p-hydroxybenzylidene)amino]penicillanic acid

ChEBI IDCHEBI:73187
ChEBI Name6β-[(p-hydroxybenzylidene)amino]penicillanic acid
Stars
ASCII Name6beta-[(p-hydroxybenzylidene)amino]penicillanic acid
DefinitionPenicillanic acid carrying a (p-hydroxybenzylidene)amino substituent at the 6β position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.
Last Modified12 April 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H16N2O4S
Net Charge0
Average Mass320.370
Monoisotopic Mass320.08308
SMILES[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])c1ccc(O)cc1
InChIInChI=1S/C15H16N2O4S/c1-15(2)11(14(20)21)17-12(19)10(13(17)22-15)16-7-8-3-5-9(18)6-4-8/h3-7,10-11,13,18H,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1
InChIKeyMCTUMEOQLDXESY-NTZNESFSSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
6β-[(p-hydroxybenzylidene)amino]penicillanic acid (CHEBI:73187) has role hapten (CHEBI:59174)
6β-[(p-hydroxybenzylidene)amino]penicillanic acid (CHEBI:73187) is a penicillin (CHEBI:17334)
IUPAC Name 
6β-[(4-hydroxybenzylidene)amino]-2,2-dimethylpenam-3α-carboxylic acid
Synonyms  Source
hapten HAPAChEBI
hapten 2 HAPAChEBI
6-[(p-hydroxybenzylidene)amino]penicillanic acidChEBI
(2S,5R,6R)-6-[(4-hydroxybenzylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
Citations