normal Cardiolipin structure (Tetralinoleoyl CL - 18:2(9Z,12Z).

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11 years 2 days ago #1483 by dariush
Hello all,
I am trying to make Cardiolipin structure (Tetralinoleoyl CL - 18:2(9Z,12Z).
It has two double bonds in each acyl chain on C9 and C12.
I am not sure that I just need one bead with C4 in each acyl chain or two C3 adjacent to each other. Then, what would be the bond parameters (length, angle and constants) in each case?
Thank you,
Dariush

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11 years 1 day ago #1486 by djurre
18:2(9Z,12Z) would be the same tails as DILINOLEYL PHOSPHATIDYLCHOLINE (in the martini itps called DUPC for mysterious historical reasons.)

There the tail are C1-C4-C4-C1 with regular 0.47-1250 bonds and angles 180/25, 100/10 and 120/45.

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11 years 1 day ago #1489 by dariush
Thank you! I got it.

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