CHEBI:71399 compound structure

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

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CHEBI:71399 compound structure #2677

Closed muthuvenkat closed 8 years ago

muthuvenkat commented 11 years ago

The 2D structure of CHEBI:71399 ((β-L-Ara4N)2-(KDO)2-lipid IVA(2−)) and the compound name has been modified since initial submission (attached molfile). The submitted compound is the hexa-acylated form of KDO2-lipidA, corresponding to MetaCyc:L-ARA4N-MODIFIED-KDO2-LIPID-A (compound xreference), and was submitted with compound name "L-Ara4N-modified (KDO)2-Lipid A", whereas the curated form is the tetra-acylated form. The compound structure (and eventually the compound name) should be modified with the attached molfile.

Reported by: ebelda

muthuvenkat commented 11 years ago

Original comment by: ebelda

muthuvenkat commented 11 years ago

Hi Eugeni,

I've now added the missing acyl groups and changed the CHEBI name accordingly (the structure you provided actually has one of the Ara4N residues incorrectly linked to the phosphate). I've retained (β-L-Ara4N)2-(KDO)2-lipid A(2−) as the main CHEBI name as it specifies the number of Ara4N residues (some derivatives have just one Ara4N), whereas Ara4N-modified is more ambiguous. I've added L-Ara4N-modified (KDO)2-Lipid A as a synonym so you can find it from a search.

Kind regards, Steve

Original comment by: stevet7

muthuvenkat commented 11 years ago

assigned_to: nobody --> stevet7
status: open --> closed

Original comment by: stevet7