normal Ergosterol vs. Cholesterol

  • dariush
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7 years 10 months ago #5822 by dariush
Ergosterol vs. Cholesterol was created by dariush
Hello,

The comparison of Ergosterol and Cholesterol reveals some differences, which seemingly have not been considered in MARTINI - am I right? If so, could you please explain what would be the reason?
In my opinion, C2 bead may be different in Ergo due to the presence of extra CH3. Also one of the ring beads (maybe R2 or R3) may be different in Ergo due to the presence of two double bonds in the second ring of Ergo.

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7 years 10 months ago #5823 by mnmelo
Replied by mnmelo on topic Ergosterol vs. Cholesterol
Hi Dariush,

The cholesterol and ergosterol itps are different in those regards:
  • the bond between beads C1 and C2 is shorter in ergosterol, reflecting the closer center-of-mass due to the branching;
  • bead R2 is of type SC3 in cholesterol but of type SC4 in ergosterol.

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