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A Knowledge Graph of Common Chemical Names to their Molecular Definition
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SS-PR: Reviewing the Surfactant List: #220

Closed Sulstice closed 1 year ago

Sulstice commented 2 years ago

There are some missing entries that I can't seem to find or get a good structure of for surfactants. I am wondering if y'all can help me find it:

           'poe-10-oleyl ether': '',
           'poe-40-hydrogenated castor oil': '',
           'poe-60-hydrogenated castor oil': '',
           'linoleoyl macrogol glyceride': '',
           'oleoyl macrogol glyceride': '',
           'caprylocaproyl macrogol glyceride': '',
           'lauroyl macrogol glycerides': '',
           'stearoyl macrogol glycerides': '',
           'pegylated phospholipids': r'',
asukaorr commented 2 years ago

Are you looking for 2D representations? Here's what I could find.

       'poe-10-oleyl ether': '',

https://pubchem.ncbi.nlm.nih.gov/compound/9918189#section=2D-Structure 'poe-40-hydrogenated castor oil': '', 'poe-60-hydrogenated castor oil': '', Both poe (Polyoxyethylene) -n- hydrogenated castor oils should have the same base structure. Also, POE and PEG can be synonymous with the difference typically being the molecular weight and synthesis process used. Maybe these documents will help: https://www.cir-safety.org/sites/default/files/pegoil122012final_faa-final%20for%20posting.pdf https://pubchem.ncbi.nlm.nih.gov/substance/135283603#section=2D-Structure https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4505343/ 'linoleoyl macrogol glyceride': '', 'oleoyl macrogol glyceride': '', 'caprylocaproyl macrogol glyceride': '', 'lauroyl macrogol glycerides': '', 'stearoyl macrogol glycerides': '', I think the macrogol glycerides are all mixtures of substances. These sources may help for linoleoyl macrogolglycerides and oleoyl macrogolglycerides: https://www.ocl-journal.org/articles/ocl/full_html/2020/01/ocl190068/ocl190068.html https://file.wuxuwang.com/yaopinbz/EP9/EP9.1_01__40.pdf 'pegylated phospholipids': r'', Examples of PEG phospholipids are shown in these papers: https://www.nature.com/articles/s41598-019-42047-7 https://www.tandfonline.com/doi/full/10.1080/14686996.2016.1240006

Sulstice commented 1 year ago

Pushing it up for refactor gutter.