On Tue, Aug 24, 2010 at 9:38 PM, Otis Rothenberger <osrot...@chemagic.com>wrote:
> Bob,
>
> You can check me on the alpha-D-talose. I've been known to show the same
> aldose confusion as some of my students.
>
>
I'm pretty sure it's alpha-L-talose. The point is that like so many of these
databases, they are not definitively correct. They've been put together too
fast and are mostly(?) unchecked. Too bad, really.
Bob
>
> Otis
>
> Otis Rothenbergerchemagic.com
>
>
> On 8/24/2010 7:41 PM, Robert Hanson wrote:
>
> oh my oh my oh my....
>
> I've changed the SMILES server url in 12.1 to this NIH server because it is
> so very fast and I am SO impressed -- superb conversion to 3D, even for
> steroids. Stereochemistry is good, conformation is good. Allene
> stereochemistry is missing, but incorrect SMILES bond stereochemistry is
> accepted graciously.
>
>
> And this means you can now use:
>
> load $cyclohexane
> load $benzene
> load $3-methoxytoluene
> load $cholesterol
> load $aspirin
> load $taxol
> load $viagra
>
> wow!
>
> BUT...
>
> You do have to be careful. I also notice that these two give the same
> return:
>
> load $allose
> load $mannose
>
> giving C(O)[...@h]1[c@@H](O)[C@@H](O)[C@@H](O)[...@h](O)O1
>
> which I believe is L-talose!
>
> and
>
> load $glucose
>
> loads alpha-D-glucose with an extra H2O off to the side!
>
> So there are a few issues there. But still, this is great!
>
> Thank you, Otis!
>
> Bob
>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Sell apps to millions through the Intel(R) Atom(Tm) Developer Program
Be part of this innovative community and reach millions of netbook users
worldwide. Take advantage of special opportunities to increase revenue and
speed time-to-market. Join now, and jumpstart your future.
http://p.sf.net/sfu/intel-atom-d2d
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