Parent level amendment

    In a parent level amendment (PLA) you can perform structural changes, add CSTs or additional data.

    {primary} Depending on the system settings structural changes involving isotopes might not be stored on parent level.

    Amending single structure compounds

    No match

    In the case when the amendment was initiated from a parent structure and there are no parent matches to the modified structure an empty Suggestion list will appear where the new structure is displayed as a "New compound" (Figure D1). By clicking the [Register as selected] button, the structural change will be saved and the Ids will be kept.

    {primary} When amending a parent compound to a unique structure the Id (PCN) will be kept. Accordingly, the version (CN) and lot (LN) Ids will be also kept.

    images/download/attachments/1806455/sug6.png
    Figure D1. Empty Suggestion list in case of no match

    {primary} Parent level amendment will result in updating (the [Modified on date]) of all the child nodes: version(s) and lot(s).

    {primary} The additional data (e.g. Comment) change on parent level will also result in updating (the [Modified on date]) of all the child nodes.

    Exact match (no other matches)

    Independently from which level of the tree was the amendment initiated (parent, version or lot level), if there is an exact parent match and non-exact (e.g. stereoisomer, tautomer) matches are not found, an empty Suggestion list will appear (Figure D2). The modified structure will be a new lot (or new version) of an existing parent after clicking the [Register as selected] button.

    {primary} When proceeding with the amendment of a parent compound to a non-unique structure (exact match) the child version(s) and lot(s) of the current parent will be moved to the matching parent and receive new lot Ids (LN). The Id (PCN) of the amended compound will be still kept (without lots).

    images/download/attachments/1806455/sug5.png
    Figure D2. Empty Suggestion list in case of exact match

    Stereoisomer, tautomer and stereoisomer & tautomer match

    Stereoisomer, tautomer or tautomer&stereoisomer matches, if available, are displayed on the right side of the Suggestion list.

    When amending a compound, e.g. CXN14: 5-methylpiperidin-3-one on parent level to (5S)-5-methyl-1,2,5,6-tetrahydropyridin-3-ol, having CXN13: (5R)-5-methylpiperidin-3-one as a stereoisomer & tautomer match, the Suggestion list (Figure D3) will display the matching CXN13A version and also its own parent version (CXN14A).

    The Ids will be kept, if "New compound" is chosen before clicking the [Register as selected] button. Otherwise, if a suggested structure is chosen, all the lots that belong to the modified parent structure will be moved under the chosen version structure and will receive new Ids.

    {primary} When amending a parent compound to a unique structure the Id (PCN) will be kept. Accordingly, the version (CN) and lot (LN) Ids will be also kept.

    {primary} When proceeding with the amendment of a parent compound to a non-unique structure the lot(s) of the current parent will be moved to the matching parent and receive new lot Ids (LN). The Id (PCN) of the amended compound will be still kept (without lots).

    images/download/attachments/1806455/image2019-2-26_10-5-44.png
    Figure D3. Suggestion list with stereoisomer & tautomer matches

    Editing additional data

    Additional data can be edited on the parent level without changing the structure of the parent.

    {info} When saving additional data for a given form field on parent level you need to proceed with the [Register as selected] option on the [Similar compounds in the database] suggestion list.

    Amendment of single compounds used in multi-component compounds

    Additional data can be added succesfully on parent level for compounds that are part of multi-component compounds.

    {info} Currently, editing compound structures on parent level that are part as components of multi-component compounds is not allowed.

    Amendment of multi-component compounds

    Additional data can be added succesfully on parent level for multi-component compounds.

    {info} Currently, editing multi-component compound structures on parent level is not allowed.