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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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New terms: iodine heterocycles #1388

Closed muthuvenkat closed 8 years ago

muthuvenkat commented 15 years ago

Hello,

name: organoiodine heterocyclic compounds def: "Cyclic compounds having as ring members atoms of carbon and iodine." is_a: CHEBI:24532 ! organic heterocyclic compounds

then:

name: iodoxoles def: "Heterocyclic compounds containing a five-membered ring in which an iodine atom and an oxygen atom are adjacent." is_a: CHEBI:new ! organoiodine heterocyclic compounds

name: iodoxazoles def: "Heterocyclic compounds containing a five-membered ring in which an iodine atom, a nitrogen atom and an oxygen atom are adjacent." is_a: CHEBI:new ! organoiodine heterocyclic compounds

name: benziodoxoles def: "Heterocyclic compounds containing a benzene ring ortho-fused to a five-membered ring in which an iodine atom and an oxygen atom are adjacent (an iodoxole ring)." is_a: CHEBI:33637 ! ortho-fused compound is_a: CHEBI:new ! iodoxoles

name: benziodoxazoles def: "Heterocyclic compounds containing a benzene ring ortho-fused to a five-membered ring in which an iodine atom, a nitrogen atom and an oxygen atom are adjacent (an iodoxazole ring)." is_a: CHEBI:33637 ! ortho-fused compound is_a: CHEBI:new ! iodoxazoles

DOI: 10.1039/b813163e

Many thanks, Colin.

Reported by: batchelorc

muthuvenkat commented 15 years ago

Colin, In order to include examples of these novel classes (or even to check that I am getting the general class structures right) I need to consult the original paper. However, our library does not subscribe to RSC journals, so your supplying the DOI is of little help to me (except to reach the abstract). How can we get round this? The problem is sure to occur frequently. Cheers Marcus

Original comment by: mennis

muthuvenkat commented 15 years ago

Original comment by: mennis

muthuvenkat commented 15 years ago

Hello,

Can I send you .mol files of the relevant compounds?

Colin.

Original comment by: batchelorc

muthuvenkat commented 15 years ago

Hi Colin Molfiles would be useful. Thanks Marcus

Original comment by: mennis

muthuvenkat commented 15 years ago

Hi Colin

You marked this as priority 9 but I'm still waiting for the .mol files which you offered to send. Any chance of getting these to me?

Marcus

Original comment by: mennis

muthuvenkat commented 15 years ago

1-hydroxy-1-oxo-3-methyl-3-butylbenziodoxazole is CHEBI:52697 and is_a benziodoxazole.

Will post other examples step-by-step as Firefox a bit wobbly with submission tool.

Original comment by: batchelorc

muthuvenkat commented 15 years ago

OK, and we have a benziodoxole now. 1-hydroxy-3-oxobenziodoxole has been assigned ChEBI identifier CHEBI:52699, says the submission tool. It is a tautomer of CHEBI:52698 (can't seem to do that with the submission tool).

2-iodylbenzoic acid has been assigned ChEBI identifier CHEBI:52700 it is a tautomer of 1-hydroxy-1-oxo-3-oxobenziodoxole (CHEBI:52701).

OK, I think we're done!

Colin.

Original comment by: batchelorc

muthuvenkat commented 13 years ago

These have all been done, including the examples. I have also added the ChemComm citation as PMID:19082096.

This thread is now closed.

Marcus

Original comment by: mennis

muthuvenkat commented 13 years ago

Original comment by: mennis