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Add Lipidclass nomenclature from ALEX123 #10

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DanielMKrause opened this issue Apr 13, 2021 · 0 comments
Open

Add Lipidclass nomenclature from ALEX123 #10

DanielMKrause opened this issue Apr 13, 2021 · 0 comments
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@DanielMKrause
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For LUX score template SMILES, the naming conventions and list of lipid classes of Pauling, Hermansson, et al. PLoS One 2017 (http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0188394) was used.
Some Lipidclass names are not used in Lipidmaps or Swiss lipids and would be great to have as an additional alias or complete addition, such as:

SQDG ~ Sulfoquinovosyl diacylglycerol (https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMGL05010004)
aPG = n-acylated PG (no entry in DBs, fatty acid at the head group)
aPE = NAPE ~ additional name
DMPE = PE-NMe2 ~ additional name
MMPE = PE-NMe ~ additional name
PEt = PEth = PEtOH ~ Phosphatidylethanol without the amine part

@nilshoffmann nilshoffmann added the enhancement New feature or request label Apr 13, 2021
@nilshoffmann nilshoffmann added this to To do in Goslin via automation Apr 13, 2021
@nilshoffmann nilshoffmann added this to the Goslin 2.x milestone Nov 29, 2021
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