CHEBI:7969 - penillic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name penillic acid
ChEBI ID CHEBI:7969
Definition An acid degradation product of a penicillin, produced by cleavage of the 1,7 bond, forming penicilloic acid; and formation of a bond between the exocyclic carbonyl carbon and N-1 with the elimination of water from these two positions and the exocyclic NH.
Stars This entity has been manually annotated by the ChEBI Team.
Download Molfile XML SDF
Formula C9H11N2O4SR
Net Charge 0
Average Mass (excl. R groups) 243.26000
Monoisotopic Mass (excl. R groups) 243.04395
SMILES [H]C12SC(C)(C)[C@@H](N1C([*])=NC2C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing penillic acid (CHEBI:7969) is a carboxylic acid (CHEBI:33575)
penillic acid (CHEBI:7969) is a dicarboxylic acid (CHEBI:35692)
penillic acid (CHEBI:7969) is a imidazothiazole (CHEBI:48909)
Incoming benzylpenillic acid (CHEBI:60219) is a penillic acid (CHEBI:7969)
Synonyms Sources
Penillic acid KEGG COMPOUND
penillic acids ChEBI
PNI ChEBI
Manual Xref Database
C11746 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
13720937 PubMed citation Europe PMC
4968104 PubMed citation Europe PMC
5632521 PubMed citation Europe PMC
Last Modified
26 September 2017