Dear all,
Here's a question for the chemists in the group: do we need to be concerned
about representing the stereochemistry of the P=C bond in substructures
like O=P(/O)=C/C under normal circumstances?
Here's a pubchem compound example that has the double bond crossed
(possibly leading one to believe that it could have stereochemistry):
https://pubchem.ncbi.nlm.nih.gov/compound/56981965
Here's the corresponding substance record (which is how PubChem received
the structure):
https://pubchem.ncbi.nlm.nih.gov/substance/135741697
Another example, this time without the crossed bond in the compound record:
https://pubchem.ncbi.nlm.nih.gov/compound/87396055
Best,
-greg
------------------------------------------------------------------------------
Transform Data into Opportunity.
Accelerate data analysis in your applications with
Intel Data Analytics Acceleration Library.
Click to learn more.
http://pubads.g.doubleclick.net/gampad/clk?id=278785111&iu=/4140
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
