CHEBI:194484 - flavocillin

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ChEBI Name flavocillin
ChEBI ID CHEBI:194484
Definition A penicillin in which the substituent at position 6 of the penam ring is a [3-(4-oxo-4H-chromen-2-yl)benzoyl]nitrilo group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C24H20N2O6S
Net Charge 0
Average Mass 464.490
Monoisotopic Mass 464.10421
InChI InChI=1S/C24H20N2O6S/c1-24(2)19(23(30)31)26-21(29)18(22(26)33-24)25-20(28)13-7-5-6-12(10-13)17-11-15(27)14-8-3-4-9-16(14)32-17/h3-11,18-19,22H,1-2H3,(H,25,28)(H,30,31)/t18-,19?,22-/m1/s1
InChIKey FBFNOKWBJGHOGZ-LROQTYINSA-N
SMILES [H][C@]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)C1=CC(=CC=C1)C1=CC(=O)C2=CC=CC=C2O1)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 )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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.
(via penicillin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing flavocillin (CHEBI:194484) has role antibacterial agent (CHEBI:33282)
flavocillin (CHEBI:194484) is a benzenes (CHEBI:22712)
flavocillin (CHEBI:194484) is a flavones (CHEBI:24043)
flavocillin (CHEBI:194484) is a penicillin (CHEBI:17334)
flavocillin (CHEBI:194484) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
(5R,6R)-3,3-dimethyl-7-oxo-6-[3-(4-oxo-4H-chromen-2-yl)benzamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonym Source
(5R,6R)-3,3-dimethyl-7-oxo-6-[3-(4-oxo-4H-1-benzopyran-2-yl)benzamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC
Manual Xref Database
WO2019155266 Patent
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Last Modified
18 April 2023