coenzyme A

Ligand id: 3044

Name: coenzyme A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 22
Hydrogen bond donors 9
Rotatable bonds 20
Topological polar surface area 414.79
Molecular weight 767.12
XLogP -5.83
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
acetyl-CoA acetyltransferase 1 2.3.1.9 2acetyl CoA = acetoacetyl CoA + coenzyme A 1
ceramide synthase 1 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
ceramide synthase 4 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
hydroxymethylglutaryl-CoA synthase 2 2.3.3.10 Acetyl CoA + H2O + acetoacetyl CoA -> (S)-3-hydroxy-3-methylglutaryl-CoA + coenzyme A
acetyl-CoA acetyltransferase 2 2.3.1.9 2acetyl CoA = acetoacetyl CoA + coenzyme A
serine palmitoyltransferase long chain base subunit 1 2.3.1.50 L-serine + palmitoyl-CoA -> 3-ketosphinganine + coenzyme A + CO2
hydroxymethylglutaryl-CoA synthase 1 2.3.3.10 Acetyl CoA + H2O + acetoacetyl CoA -> (S)-3-hydroxy-3-methylglutaryl-CoA + coenzyme A
ceramide synthase 5 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
choline O-acetyltransferase 2.3.1.6 Acetyl CoA + choline = acetylcholine + coenzyme A
ceramide synthase 2 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
ceramide synthase 6 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
serine palmitoyltransferase long chain base subunit 2 2.3.1.50 L-serine + palmitoyl-CoA -> 3-ketosphinganine + coenzyme A + CO2
serine palmitoyltransferase long chain base subunit 3 2.3.1.50 L-serine + palmitoyl-CoA -> 3-ketosphinganine + coenzyme A + CO2
ceramide synthase 3 2.3.1.24 acylCoA + sphinganine -> dihydroceramide + coenzyme A
sphingosine + acylCoA -> ceramide + coenzyme A
hydroxymethylglutaryl-CoA reductase 1.1.1.34 (S)-3-hydroxy-3-methylglutaryl-CoA + NADPH -> (R)-mevalonate + coenzyme A + NADP+
Ligand mentioned in the following text fields
Eicosanoid turnover overview
SLC27 family of fatty acid transporters comments
SLC33 acetylCoA transporter comments