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6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_73188

Penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.

Term info

Label

6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid

Synonyms
  • 6beta-({5-[(4-aminophenyl)imino]pentylidene}amino)-2,2-dimethylpenam-3alpha-carboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
6beta-({5-[(4-aminophenyl)imino]pentylidene}amino)-2,2-dimethylpenam-3alpha-carboxylic acid [ IUPAC ]

charge

0

formula

C19H24N4O3S

has obo namespace

chebi_ontology

has related synonym

hapten PAPA, hapten 1 PAPA, (2S,5R,6R)-6-({5-[(4-aminophenyl)imino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(p-hydroxybenzylidene)amino]penicillanic acid

id

CHEBI:73188

inchi

InChI=1S/C19H24N4O3S/c1-19(2)15(18(25)26)23-16(24)14(17(23)27-19)22-11-5-3-4-10-21-13-8-6-12(20)7-9-13/h6-11,14-15,17H,3-5,20H2,1-2H3,(H,25,26)/t14-,15+,17-/m1/s1

inchikey

BHEVULAQHTXCQV-HLLBOEOZSA-N

mass

388.48400

monoisotopicmass

388.15691

smiles

[H]C(CCCC([H])=Nc1ccc(N)cc1)=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H]

Term relations

Subclass of: