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molecular formula Mg B044657 Magnesium CAS No. 7439-95-4

Magnesium

Cat. No. B044657
M. Wt: 24.305 g/mol
InChI Key: FYYHWMGAXLPEAU-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
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Patent
US05798214

Procedure details

ADP substrate (>99.999% pure with respect to ATP), magnesium acetate and extractant reagent (0.15% cationic detergent and 0.25% tertiary diamine per final volume) is supplied from source (10) in sufficient quantity to provide 0.1 mM ADP and 10 mM magnesium ions in the reaction vessel, the magnet deenergised and stirrer operated and extraction/ADP conversion allowed to proceed for a set period between of 1 or 5 minutes before the stirrer is stopped, the magnet energised and the liquid removed to the luminometer flow cell (11) using the peristaltic tubing (3) and reversible pumps (4) and (12) while simultaneously mixing it with an effective volume of luciferase/luciferin reagent of depleted adenylate kinase content from source (13). Using an adenylate kinase modified Celsis LDR reagent of otherwise standard amounts of active ingredients this volume is about one half of the volume of the sample. Light emitted in the flow cell is related to the amount of E. coli captured by reference to standard curves obtained by performance of the assay with known numbers of cells.
Name
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
magnesium acetate
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
[Compound]
Name
diamine
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
[Compound]
Name
( 10 )
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four
Name

Identifiers

REACTION_CXSMILES
[P:1]([O:9][CH2:10][C@H:11]1[O:15][C@@H:14]([N:16]2[C:25]3[N:24]=[CH:23][N:22]=[C:20]([NH2:21])[C:19]=3[N:18]=[CH:17]2)[C@H:13]([OH:26])[C@@H:12]1[OH:27])([O:4][P:5]([OH:8])([OH:7])=[O:6])(=[O:3])[OH:2].C([O-])(=O)C.[Mg+2:32].C([O-])(=O)C>>[P:1]([O:9][CH2:10][C@H:11]1[O:15][C@@H:14]([N:16]2[C:25]3[N:24]=[CH:23][N:22]=[C:20]([NH2:21])[C:19]=3[N:18]=[CH:17]2)[C@H:13]([OH:26])[C@@H:12]1[OH:27])([O:4][P:5]([OH:7])([OH:8])=[O:6])(=[O:2])[OH:3].[Mg:32] |f:1.2.3|

Inputs

Step One
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
P(O)(=O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O
Step Two
Name
magnesium acetate
Quantity
0 (± 1) mol
Type
reactant
Smiles
C(C)(=O)[O-].[Mg+2].C(C)(=O)[O-]
Step Three
Name
diamine
Quantity
0 (± 1) mol
Type
reactant
Smiles
Step Four
Name
( 10 )
Quantity
0 (± 1) mol
Type
reactant
Smiles

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
P(O)(=O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O
Measurements
Type Value Analysis
AMOUNT: MOLARITY
Name
Type
product
Smiles
[Mg]
Measurements
Type Value Analysis
AMOUNT: MOLARITY

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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