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To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

tris
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
PubChem: 6503
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Posts

Guest post by Heather CassellMysteriously abandoned?iStockI love working in the lab. I’m happiest when I’m pottering about among the bottles and the beakers getting on with my work. Most of my experience has been in multi-group labs of varying sizes;...
huperzine a
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
PubChem: -1
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Posts

Wow, real life really kicked my ass there. I'll try and post a couple of things a month again from now on.Thanks for still reading! BRSM An Enantiospecific Synthesis of JiadifenolideIanet al., Angew. Chem. Int. Ed. 2014,53, 53325335 [PDF] [SI] [Group]DOI:10.1002/anie.201402335Given...
Wow, real life really kicked my ass there. I'll try and post a couple of things a month again from now on.Thanks for still reading! BRSM An Enantiospecific Synthesis of JiadifenolideIanet al., Angew. Chem. Int. Ed. 2014,53, 53325335 [PDF] [SI] [Group]DOI:10.1002/anie.201402335Given...
huperzine a
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
PubChem: -1
[RDF]

Posts

Wow, real life really kicked my ass there. I'll try and post a couple of things a month again from now on.Thanks for still reading! BRSM An Enantiospecific Synthesis of JiadifenolideIanet al., Angew. Chem. Int. Ed. 2014,53, 53325335 [PDF] [SI] [Group]DOI:10.1002/anie.201402335Given...
Wow, real life really kicked my ass there. I'll try and post a couple of things a month again from now on.Thanks for still reading! BRSM An Enantiospecific Synthesis of JiadifenolideIanet al., Angew. Chem. Int. Ed. 2014,53, 53325335 [PDF] [SI] [Group]DOI:10.1002/anie.201402335Given...
ethyl carbamate
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
PubChem: 5641
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Posts

For reasons that are beyond me, trademarks in the plastics industry tend to become genericized rather easily. Don Loepp of Plastics News has commented on this on more than one occasion. The public uses nylon to describe any polyamide, plexiglas(s) to describe...
international chemical identifier
InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
PubChem: -1
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Posts

With the profusion of chemical information on the web in the form of chemical names, images of structures, specific codes (InChI etc), its sometimes very useful to be able to seamlessly retrieve some extra information while browsing a page that contains such...
Unichem is a simple database and web service for the InChI-based linkage of chemical structures across various resources. It was initially developed under the EU-OPENSCREEN ESFRI as an approach to link screening data from the planned screening collection to...
Lately, I’ve been very interested in using my university’s Learning Management System (we use Moodle, others use Blackboard or something else) to administer quizzes to my students, but as an organic chemist, I’ve been hesitant to do so. Primarily...
Here at ChEMBL, we are often contacted by users who are interested in purchasing some of the compounds that we store in our databases. However, our compounds are curated directly from the literature and we do not have access to physical samples. To enable our...
Its a simple and increasingly common question: how can I enable users to search my website by chemical structure? Text search can be done relatively easily, but chemical exact structure and substructure search are considerably more complex. This article offers...
The mcule project was started in last June with very ambitious goals. Several months have passed and you could ask whats happening behind the scenes? And when can I finally start searching/screening/ordering etc. Well, a lot of things happened since last June.Laying...
Developing a molecule database is not a trivial task. There are several problems you have to deal with and they can be handled differently depending on the size, content and purpose of the database. Here I try to provide a list of the most common issues we...
We are pleased to announce that we have updated the ChEMBL RESTful Web Service API (application programming interface) with some more of the features that you the ChEMBL users requested. In particular, we have added support for the: Retrieval of results in...
hydrazoic acid
InChI=1S/HN3/c1-3-2/h1H
PubChem: 24530
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Posts

An explosion on Tuesday in a chemistry lab at the University of Minnesota injured a graduate student. The student was making trimethylsilyl azide.The student injuredhis arm and side, and he needed surgery to deal with glass shards, chemistry department chair...
ibrutinib
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1


PubChem: 24821094
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Posts

Last year we highlighted a paper in which fragments were attached to a warhead, a chemical group that could form a reversible covalent bond with cysteine residues in proteins. These fragments were then screened against a kinase to identify nanomolar inhibitors....
phorbol
InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1
PubChem: 442070
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Posts

I originally started writing this post before Christmas but then lost the near-completed version with the death of my laptop. However, I recently found some old backups and decided to finish it up and put it online for your enjoyment. Have fun!---BRSM.Total...
Could plant extracts still surprise us? "Magical rainforest berry kills tumors with single injection" read last month's FiercePharma headline. The Guardian reinforced the hype, narrowing down the berry's source (Queensland, Australia) and the...
crotonic acid
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
PubChem: 637090
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Posts

I originally started writing this post before Christmas but then lost the near-completed version with the death of my laptop. However, I recently found some old backups and decided to finish it up and put it online for your enjoyment. Have fun!---BRSM.Total...
tiglic acid
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
PubChem: 125468
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Posts

I originally started writing this post before Christmas but then lost the near-completed version with the death of my laptop. However, I recently found some old backups and decided to finish it up and put it online for your enjoyment. Have fun!---BRSM.Total...