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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.
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New term: siloxanes #1356

Closed muthuvenkat closed 8 years ago

muthuvenkat commented 15 years ago

Hello,

I'd like to submit the following new term to ChEBI:

name: polysiloxanes def: "A polymer molecule with a siloxane (-Si(R2)-O-) repeating unit." is_a: ChEBI:33839 ! macromolecule is_a: ChEBI:48138 ! siloxanes see polysiloxanes.png

Many Thanks

Hilary Burch

Dr Hilary Burch MChem MRSC Informatics Department, Royal Society of Chemistry Thomas Graham House, Cambridge UK CB4 0WF burchh@rsc.org t: +44 1223 432436

Reported by: burchh

muthuvenkat commented 15 years ago

Image of polysiloxane

Original comment by: burchh

muthuvenkat commented 15 years ago

In ChEBI, "siloxanes" stands for "Saturated silicon-oxygen hydrides"

unbranched siloxanes (CHEBI:48139) is a siloxanes (CHEBI:48138) tetrasiloxane (CHEBI:48152) is a unbranched siloxanes (CHEBI:48139)

while molecules where R is not H are called "silicones" silicones (CHEBI:48140) is a organosiloxanes (CHEBI:48150)

Now the structure you provide corresponds to silicones (CHEBI:48140).

Kirill

Original comment by: kiri11

muthuvenkat commented 15 years ago

IUPAC include hydrocarbyl groups in their definition of siloxanes which, if included in the ChEBI definition, would make polysiloxanes a siloxanes (ChEBI:48138) and silicones (ChEBI:48140) a polysiloxanes.

Organosiloxanes would then be a siloxanes (CHEBI:48150) but would need a definition such as "Siloxanes where Si is subsituted with organyl groups."

It would also make silsesquioxanes (tracker no. 2381727) a organosilicon compounds (ChEBI:25713) and silsesquioxane cage (CHEBI:51168) a silsequioxanes.

Hilary

Original comment by: burchh

muthuvenkat commented 14 years ago

Hi,

Polysiloxane is now CHEBI:59830.

Ontology rejigged as suggested, except that I did not include a relationship silsesquioxane is_a organosilicon compound, as there is no requirement in the definition of silsesquioxane for a carbon-silicon bond to be present.

Marcus

Original comment by: mennis

muthuvenkat commented 14 years ago

Original comment by: mennis