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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.

international chemical identifier
InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
PubChem: -1
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Posts

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...
norbornane
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
PubChem: 9233
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Posts

It's the start of a new school year and I going to try to post a little more regularly.  Since it has been a while since  posted anything on a regular basis, I thought it would be a good idea to re-introduce this blog.What is a Bridgehead Carbon anyway?...
hydrogen peroxide
InChI=1S/H2O2/c1-2/h1-2H
PubChem: 784
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Posts

Oxidation using hydrogen peroxide and potassium carbonate as suggested by Bill from Creative Chemistry.Reaction start time: 1735 EST 05/09/11PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), K2CO3 (0.32 g, 2.3 mmol, 5 equiv.) were stirred in MeOH (2 mL) at room temperature....
Bleached in space – Great news for cosmic hairdressers. ESO has discovered hydrogen peroxide in space. If you look at the photo, there’s a little red ring, that’s the stuff right there. On Earth, hydrogen peroxide plays a key role in the chemistry...
potassium carbonate
InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
PubChem: 516886
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Posts

Oxidation using hydrogen peroxide and potassium carbonate as suggested by Bill from Creative Chemistry.Reaction start time: 1735 EST 05/09/11PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), K2CO3 (0.32 g, 2.3 mmol, 5 equiv.) were stirred in MeOH (2 mL) at room temperature....
caffeine
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PubChem: 2519
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Posts

The latest GPCR structure, published in Structure, details three ligand complexes, ZM-241385, a xanthine (XAC) and caffeine. In addition to the interpretation of the complex structures, the paper additionally the use of thermostabilisation as a strategy...
glutathione
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
PubChem: 124886
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Posts

Trust your gut . . . scientifically speaking. From belly-button bacteria to classification of signature microflora (all the various microbes that populate the intestinal tract), it feels like recent popular culture grows best in a petri dish. Many scientists...
monosodium phosphate
InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
PubChem: 24204
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Posts

Pinnick oxidation of PMY 2-3 to the corresponding carboxylic acid.Experiment start time: 1015 EST 01/09/11Aldehyde PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), NaH2PO4 (0.44 g, 3.7 mmol, 8 equiv.) and 2,3-dimethyl-2-butene (0.55 mL, 4.6 mmol, 10 equiv.) were dissolved...
tetrahydrofuran
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
PubChem: 8028
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Posts

Pinnick oxidation of PMY 2-3 to the corresponding carboxylic acid.Experiment start time: 1015 EST 01/09/11Aldehyde PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), NaH2PO4 (0.44 g, 3.7 mmol, 8 equiv.) and 2,3-dimethyl-2-butene (0.55 mL, 4.6 mmol, 10 equiv.) were dissolved...
In a blatant plug for theReagent Guide, each Friday I profile a different reagent that is commonly encountered in Org 1/ Org 2. Version 1.2 just got released last week, with a host of corrections and a new page index.I'd eat you right now... but I'm...
tert-butanol
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
PubChem: 6386
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Posts

Pinnick oxidation of PMY 2-3 to the corresponding carboxylic acid.Experiment start time: 1015 EST 01/09/11Aldehyde PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), NaH2PO4 (0.44 g, 3.7 mmol, 8 equiv.) and 2,3-dimethyl-2-butene (0.55 mL, 4.6 mmol, 10 equiv.) were dissolved...
sodium chlorite
InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
PubChem: 24452
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Posts

Pinnick oxidation of PMY 2-3 to the corresponding carboxylic acid.Experiment start time: 1015 EST 01/09/11Aldehyde PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.), NaH2PO4 (0.44 g, 3.7 mmol, 8 equiv.) and 2,3-dimethyl-2-butene (0.55 mL, 4.6 mmol, 10 equiv.) were dissolved...