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A well-known commercial CASE system, StrucEluc, [20] also features a NMR based generator. This tool is from ACD Labs and, notably, one of the developers of MASS, Mikhail Elyashberg. COCON [21] is another NMR based structure generator, relying on theoretical data sets for structure generation. Except J-HMBC and J-COSY, all NMR types can be used ...
1-Aminopentane is an organic compound with the formula CH 3 (CH 2) 4 NH 2.It is used as a solvent, as a raw material in the manufacture of a variety of other compounds, including dyes, emulsifiers, and pharmaceutical products, [1] and as a flavoring agent.
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Library of Integrated Network-based Cellular Signatures small molecules PubChem ChEMBL SMILES InChI LSM "LINCS". 43,700 LipidBank Japanese Conference on the Biochemistry of Lipids lipids "LipidBank". 7,009 LMSD LIPID MAPS Structure Database Lipids HMDB ChEBI PubChem InChI LMFA "LMSD". 44701 LOLI: List of Lists safety data sheets, regulation ...
The main structure of chemical names according to IUPAC nomenclature. IUPAC nomenclature is a set of recommendations for naming chemical compounds and for describing chemistry and biochemistry in general. The International Union of Pure and Applied Chemistry (IUPAC) is the international authority on chemical nomenclature and terminology.
For esters such as ethyl acetate (CH 3 COOCH 2 CH 3), ethyl formate (HCOOCH 2 CH 3) or dimethyl phthalate that are based on common acids, IUPAC recommends use of these established names, called retained names. The "-oate" changes to "-ate." Some simple examples, named both ways, are shown in the figure above.
Because the S 2− anion has a subscript of 2 in the formula (giving a 4− charge), the compound must be balanced with a 4+ charge on the Pb cation (lead can form cations with a 4+ or a 2+ charge). Thus, the compound is made of one Pb 4+ cation to every two S 2− anions, the compound is balanced, and its name is written as lead(IV) sulfide .
As of November 2015, PubChem contains more than 150 million depositor-provided substance descriptions, 60 million unique chemical structures, and 225 million biological activity test results (from over 1 million assay experiments performed on more than 2 million small-molecules covering almost 10,000 unique protein target sequences that ...