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CHEBI:194484 - flavocillin

ChEBI IDCHEBI:194484
ChEBI Nameflavocillin
Stars
DefinitionA penicillin in which the substituent at position 6 of the penam ring is a [3-(4-oxo-4H-chromen-2-yl)benzoyl]nitrilo group.
Last Modified18 April 2023
DownloadsMolfile
FormulaC24H20N2O6S
Net Charge0
Average Mass464.499
Monoisotopic Mass464.10421
SMILES[H][C@]12SC(C)(C)C(C(=O)O)N1C(=O)[C@H]2NC(=O)c1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=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
InChIKeyFBFNOKWBJGHOGZ-LROQTYINSA-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:
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.
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)
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 acidIUPAC
Manual XrefsDatabases
WO2019155266Patent