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ether lipids not converting to bulk #32

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docmattc opened this issue Nov 6, 2024 · 0 comments
Open

ether lipids not converting to bulk #32

docmattc opened this issue Nov 6, 2024 · 0 comments
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@docmattc
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docmattc commented Nov 6, 2024

Hi Ni
If I convert ether lipids at molecular species level to bulk using the converter and input in biopan nomenclature, the ether-ness of the lipids is lost

O-PE(16:0/18:1) becomes PE(34:1) but it should be O-PE(34:1), or PE(O-34:1), or PE O-34:1 depending on your preference.
P-PC(16:0/18:1) becomes PC(34:1) but should be O-PC(34:2). Bulk level does not define plasmalogen and the vinyl double bond is implicit in the P-, so the P goes to O and the BDE count rises by one

Matt

@docmattc docmattc added the bug Something isn't working label Nov 6, 2024
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