MarinLit

Now published by The Royal Society of Chemistry

MarinLit

MarinLit is a database of the marine natural products literature. In addition to the usual bibliographic data, the database contains an extensive collection of keywords, trivial names, compound information including structures, formulae, molecular mass, numbers of various functional groups, and UV data. All of these items can be searched for either individually or in various logical combinations. Taxonomic data are also included, permitting the exploration of relationships at various levels such as genus, family or order. Bibliographic data can be exported in a format suitable for entry into EndNote. MarinLit also has all of the structures available in ChemFinder (version 8 or later) files. By using your own copy of CS ChemOffice, these files can be searched, from within MarinLit, for substructures and/or the numbers of 1H NMR-recognisable structural features, a very powerful tool for dereplication purposes.

An optional version of MarinLit contains a mix of calculated and actual 13C and 1H NMR chemical shift data for all compounds in MarinLit. The 13C data can be searched for patterns of shifts from within MarinLit. These data have been generated through collaboration with ACD/Labs. If you choose this option, then you will also be able to access the IUPAC name for each compound in MarinLit. You will also receive the ACD/Labs 13C and 1H data file .NMRUDB. In conjunction with the CNMR and HNMR Predictor packages (available directly from ACD/Labs http://www.acdlabs.com) you will be able to visualise the spectra for each compound, along with the assignment of shifts to each position in the structure. You will also be able to view the calculated physical properties of each compound. There is a link between MarinLit and the CNMR and HNMR Predictors, so that the relevant data and features in the ACD packages can be accessed from within MarinLit.

Links are provided via the web to BindingDB (www.bindingdb.org). BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be drug-targets with small, drug-like molecules. There are 5,220 compounds in MarinLit that are associated with 7,067 identical or similar compounds in BindingDB. When viewing one of these 5,220 compounds in MarinLit, you can access relevant experimental Ki, KD, IC50 etc data in BindingDB.

The number of references from >1,400 journals/books is >26,000 with data for ~24,000 compounds. These compounds have been derived from ~6,000 species from ~2,200 genera from 39 phyla.

MarinLit has been developed as a stand-alone application written in Microsoft FoxPro. The requirements for its use are a PC with any version of Windows (32 bit only), and having 680 Mb (480 Mb without the ACD NMR files option) of disk space available. For Intel Macintosh users or those with 64-bit Windows installations, see the document MarinLit_64-bit.pdf (PDF 81 KB), available here.

The MarinLit files are obtained by downloading from a web site, for installation on your hard disk. An Instruction Manual is included, in addition to help screens available from within the program. This Instruction Manual (PDF 562 KB) can be downloaded from here – this will illustrate in more detail the capabilities of MarinLit.

Please contact marinlit@rsc.org for information on pricing and placing of orders.

Associated with MarinLit is the database AntiMarin. This database (which can be accessed from your own copy of ChemFinder (version 8 or later)) contains all the compound data from MarinLit combined with the compound data from AntiBase, a database of all terrestrial and marine microbial natural products (Prof. Hartmut Laatsch, hlaatsc@gwdg.de). AntiMarin currently has ~55,000 entries for ~50,000 compounds. These data are presented with the numbers of 1H NMR-recognisable structural features for each compound in searchable format, providing a very powerful tool for dereplication purposes. AntiMarin is available at no charge, provided that you have a current subscription to both MarinLit and AntiBase. Contact here for information on the AntiBase subscription. AntiMarin is updated once each year.

If you have any doubts about the suitability of your system, or require further information about any of these products, please contact for advice. Sample versions of MarinLit and AntiMarin are available on request.

  • Phone: +64 3 364 2100
    Fax: +64 3 364 2110
    Email: chemistry@canterbury.ac.nz
  • Department of Chemistry
    University of Canterbury
    Private Bag 4800, Christchurch
    New Zealand
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