CAS registry number and PubChem CID/SID?

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Egon Willighagen

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Jul 9, 2014, 4:00:04 AM7/9/14
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Hi all,

maybe I am overlooking it, but I cannot find CHEMINF entries for the
CAS registry number and the PubChem CID and SID...

OK, if I add those?

Egon

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E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286

Janna Hastings

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Jul 9, 2014, 5:47:05 AM7/9/14
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Hi Egon,

PubChem is in there: CID as CHEMINF_000140 and SID as CHEMINF_000141.

I can't find CAS registry number. Please go ahead and add it.

Cheers, Janna


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Nina Jeliazkova

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Jul 9, 2014, 6:01:58 AM7/9/14
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Hi Egon, Janna,

You might consider also adding an entry for  EINECS numbers  (used in EU regulations like REACH)


Regards,
Nina

Egon Willighagen

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Jul 9, 2014, 6:43:04 AM7/9/14
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On Wed, Jul 9, 2014 at 11:47 AM, Janna Hastings
<janna.h...@gmail.com> wrote:
> CHEMINF_000140

Yeah, my bad... that was a regular expression where I forgot the case
insensitive option :(

Egon Willighagen

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Jul 9, 2014, 6:57:46 AM7/9/14
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OK, I added:

CHEMINF_000446: CAS registry number
CHEMINF_000447: EINECS No

Egon

Janna Hastings

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Jul 9, 2014, 7:00:27 AM7/9/14
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Great, thanks Egon!

Janna
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