CHEBI:57965, the current structure is wrong

ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.

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Closed kaxelsen closed 7 years ago

kaxelsen commented 7 years ago

Hi,

The structure of CHEBI:57965, deacetoxyvindolinium(1+) has an error in the stereo configuration of C11 (IUPAC numbering according to http://www.chem.qmul.ac.uk/iubmb/enzyme/reaction/alkaloid/alknos/vindol.html).

The bond should go up not down. I have attached the correct structure as mol file. CHEBI_57965.txt

See also CHEBI:58485, (3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine, that is linked to CHEBI:57965 by EC 2.1.1.99.

Cheers,

Kristian

G-Owen commented 7 years ago

Now corrected - thanks for letting us know!