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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bicyclic nitroimidazoles #2463

Open muthuvenkat opened 12 years ago

muthuvenkat commented 12 years ago

I'm looking for the best CHEBI compound to make a cross-product for the GO terms: GO:0052800 bicyclic nitroimidazole catabolic process GO:0052801 bicyclic nitroimidazole metabolic process

I found this related CHEBI SF item (closed) which resulted in addition of a specific compound (CHEBI:63071): http://sourceforge.net/tracker/index.php?func=detail&aid=3420446&group\_id=125463&atid=703818

I'm after a grouping term for the bicyclic nitroimidazoles: see PMID:16387854 and PMID:19039139.

Would 'bicyclic nitroimidazole' be a valid CHEBI request, as a child of 5-nitroimidazole ; CHEBI:64635? With CHEBI:63071 (at least) as a child?

Thanks, Becky

Reported by: rfoulger

muthuvenkat commented 12 years ago

Hi Becky

New term "bicyclic nitroimidazole" is CHEBI:64973 which ahs the following relationships:

bicyclic nitroimidazole (CHEBI:64973) is a C-nitro compound (CHEBI:35716) bicyclic nitroimidazole (CHEBI:64973) is a organic heterobicyclic compound (CHEBI:27171) bicyclic nitroimidazole (CHEBI:64973) is a organonitrogen heterocyclic compound (CHEBI:38101) 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CHEBI:63071) is a bicyclic nitroimidazole (CHEBI:64973)

The problem with using 5-nitroimidazole as a parent is that this has further up the tree a parent "organic heteromonocyclic compound". Thus if we were to use this, then it would be tantamount to saying "bicyclic compound" is_a "monocyclic compound".

Let me know if this is now OK for your purposes?

Cheers, Marcus

Original comment by: mennis