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ChEBI
> Main
CHEBI:194484 - flavocillin
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ChEBI Ontology
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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-4
H
-chromen-2-yl)benzoyl]nitrilo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anonymous
Supplier Information
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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 (Br
o
nsted 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
(5
R
,6
R
)-
3,3-
dimethyl-
7-
oxo-
6-
[3-
(4-
oxo-
4
H
-
chromen-
2-
yl)benzamido]-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
Synonym
Source
(5
R
,6
R
)-
3,3-
dimethyl-
7-
oxo-
6-
[3-
(4-
oxo-
4
H
-
1-
benzopyran-
2-
yl)benzamido]-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
Manual Xref
Database
WO2019155266
Patent
View more database links
Last Modified
18 April 2023