CDD Vault Update (June 2021): Representation of Unknown, Pure Enantiomers within CDD Vault
June 8, 2021
Jungian author James Hollis once wrote, “Learning to live with ambiguity is learning to live with how life really is, full of complexities and strange surprises.” CDD Vault has taken an important step towards handling chemical registration complexities with an enhancement designed to handle the registration of unknown, pure enantiomers.
Manual Structure Registration
To manually register these enantiomers, navigate to the Explore Data tab, select the “Create a new… Molecule” button and then “Launch the structure editor”. Now, draw your stereoisomer, being sure to use the OR enhanced stereo label.
- create a “New Molecule”, or
- add a new Batch to an existing Molecule (the enantiomer previously registered).
When choosing the “New Molecule” radio button, the duplicate structure drawn will be registered in CDD Vault as a separate, unique Molecule and assigned a new Molecule ID.
Bulk Structure Registration
When using the Import Data wizard to register new Molecules and Batches, you will be presented with an Ambiguous Event whenever a duplicate enantiomer containing the enhanced OR label is detected.
- create a “New Molecule”,
- add a new Batch to an existing Molecule (the enantiomer previously registered), or
- reject the row so that the enantiomer will not be registered.
Once you’ve made your selection, remember to click the blue “Apply” button and finally click the green “Commit Data Import” button.