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molecular formula C12H12N2O3 B1676918 Nalidixic acid CAS No. 389-08-2

Nalidixic acid

Cat. No. B1676918
M. Wt: 232.23 g/mol
InChI Key: MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US08703447B2

Procedure details

85 mutant strains obtained above were inoculated in a 8 ml LB medium containing 50 μg/ml ampicillin in a large test tube, and cultured at 30° C. for 17 hr. The culture medium was inoculated at 1% in a 8 ml medium containing 100 μg/ml ampicillin [16 g/L dipotassium hydrogen phosphate, 14 g/L potassium dihydrogen phosphate, 5 g/L ammonium sulfate, 1 g/L citric acid (anhydrous), 5 g/L casamino acid (manufactured by Difco), 10 g/L glucose, 10 mg/L vitamin B1, 25 mg/L magnesium sulfate heptahydrate, 50 mg/L iron sulfate heptahydrate, 100 mg/L L-proline, adjusted with 10 mol/L sodium hydroxide to pH 7.2, and glucose, vitamin B1, magnesium sulfate heptahydrate and iron sulfate heptahydrate were separately autoclaved and added] in a test tube, and cultured at 30° C. for 24 hr. The culture medium was centrifuged and a culture supernatant was obtained. The accumulated amounts of L-glutamine and L-glutamic acid in the culture supernatant were quantified by high performance liquid chromatography (HPLC), and productivity of L-glutamine and L-glutamic acid was evaluated.
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reactant
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reactant
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0 (± 1) mol
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reactant
Reaction Step Nine
Name
iron sulfate heptahydrate
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catalyst
Reaction Step Ten
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0 (± 1) mol
Type
reactant
Reaction Step Eleven
Name
dipotassium hydrogen phosphate
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0 (± 1) mol
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reactant
Reaction Step Eleven
Name
potassium dihydrogen phosphate
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reactant
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reactant
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iron sulfate heptahydrate
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Identifiers

REACTION_CXSMILES
CC1(C)S[C@@H]2[C@H:7]([NH:10][C:11]([C@H:13](N)[C:14]3[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=3)=O)[C:8](=O)N2[C@H]1C(O)=O.P([O-])([O-])(O)=O.[K+].[K+].P([O-])(O)(O)=O.[K+].S([O-])([O-])(=O)=O.[NH4+].[NH4+].C(O)(=O)CC(CC(O)=O)([C:49]([OH:51])=[O:50])O.O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CC1[N+:75](CC2C=NC(C)=NC=2N)=[CH:74]SC=1CCO.Cl.[Cl-].O.O.O.O.O.O.O.S([O-])([O-])(=O)=[O:98].[Mg+2].N1CCC[C@H]1C(O)=O.[OH-].[Na+].N[C@H](C(O)=O)CCC(=O)N.N[C@H](C(O)=O)CCC(O)=O>O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Fe+2]>[CH3:8][CH2:7][N:10]1[C:74]2[N:75]=[C:18]([CH3:19])[CH:17]=[CH:16][C:15]=2[C:14](=[O:98])[C:13]([C:49]([OH:51])=[O:50])=[CH:11]1 |f:1.2.3,4.5,6.7.8,11.12.13,14.15.16.17.18.19.20.21.22,24.25,28.29.30.31.32.33.34.35.36|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C=3C=CC=CC3)N)C(=O)O)C
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[OH-].[Na+]
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1=C(SC=[N+]1CC=2C=NC(=NC2N)C)CCO.Cl.[Cl-]
Step Five
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Mg+2]
Step Six
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
N[C@@H](CCC(N)=O)C(=O)O
Step Seven
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
N[C@@H](CCC(=O)O)C(=O)O
Step Eight
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
N[C@@H](CCC(N)=O)C(=O)O
Step Nine
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
N[C@@H](CCC(=O)O)C(=O)O
Step Ten
Name
iron sulfate heptahydrate
Quantity
0 (± 1) mol
Type
catalyst
Smiles
O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Fe+2]
Step Eleven
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C=3C=CC=CC3)N)C(=O)O)C
Name
dipotassium hydrogen phosphate
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(=O)(O)([O-])[O-].[K+].[K+]
Name
potassium dihydrogen phosphate
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(=O)(O)(O)[O-].[K+]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
S(=O)(=O)([O-])[O-].[NH4+].[NH4+]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(CC(O)(C(=O)O)CC(=O)O)(=O)O
Name
Quantity
0 (± 1) mol
Type
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Smiles
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
CC1=C(SC=[N+]1CC=2C=NC(=NC2N)C)CCO.Cl.[Cl-]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Mg+2]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
N1[C@H](C(=O)O)CCC1
Name
iron sulfate heptahydrate
Quantity
0 (± 1) mol
Type
catalyst
Smiles
O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Fe+2]

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
85 mutant strains obtained above
ADDITION
Type
ADDITION
Details
added] in a test tube
WAIT
Type
WAIT
Details
cultured at 30° C. for 24 hr
Duration
24 h
CUSTOM
Type
CUSTOM
Details
a culture supernatant was obtained

Outcomes

Product
Details
Reaction Time
17 h
Name
Type
Smiles
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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