#2312 CHEBI:18057, please update structure

[Anne Morgat]

Hi ChEBI,

Please would you update the structure of vellosimine (CHEBI:18057) with the attached mol file.
It is the major structure at pH 7.3 according to Marvin 6.2.0.
This compound is already used in approved Rhea reaction.
Thanks for your support
Anne

[Steve Turner]

This is similar to ticket #2314. There is no change to protonation state, just a movement of stereobonds. It's exactly the same compound at pH 7.3. I'm not sure any change is needed.

Cheers,
Steve

[Anne Morgat]

Dear Steve,
As the current structure of CHEBI:18057 is not recognized as a normalized structure by the Rhea application, please would you replace it by the attached mol file (even it's just a movement of stereo bonds).
Thanks for your understanding
Cheers, Anne

[Steve Turner]

Hi Anne,

See comments in ticket #2314. Again the protonation state is unaltered but stereochemistry is corrupted.

Cheers,
Steve