The SPRESI Database from InfoChem
SPRESI stands for SPeicherung und REcherche
Strukturchemischer Information (Storage and Retrieval of
Chemical Structure Information).
SPRESI is a comprehensive database consisting of chemical structures
and reaction information gathered since 1974. It is produced by
InfoChem GmbH and is the world's 3rd largest structure and reaction
database containing 11.8 million structures (5.4 million structures abstracted from the literature and 6.4 million molecules from catalogs) and 4.2 million reactions.
For further details on SPESI and related systems, including up to
date contents statistics, use the Menu bar above.
SPRESI and the Chemical Database Service
The Chemical Database Service has made arrangements to make the
SPRESIweb system available to its user community as a permanent part of
Note: There is now a free app for the iPad and iPhone called SPRESImobile that gives users access to 400,000 literature reactions (the ChemReact database). For more information, see the spresimobile.pdf
All CDS users can now access SPRESIweb by
clicking on the Access Data menu at the left
of the top pulldown menu on all CDS web pages.
In the 70's, the All-Union Institute of Scientific and Technical
Information of the Academy of Science of the USSR (VINITI) in Moscow,
and the Information Processing Centre for Chemistry (ZIC) in Berlin
started to abstract structures and reactions from the most important
organic synthesis journals, creating SPRESI.
Since then, abstraction of the world's chemical literature continues
to maintain this database up to date.
InfoChem GmbH holds the rights on this data and, since 1990, has made
the data available to the west.
Interface for SPRESIweb 2.10
SPRESIweb provides easy to use web interface access to the
There is a choice of drawing package including ISIS/Draw,
ChemDraw and InfoChem's own Java package
Drawn structures or reactions can be saved to the users local disk as
mol- or rxn-file and also uploaded from local disk.
Searches can be conducted for:
For more information on searches, click on the links above.
Molecules (Exact, Substructure, Parent, Tautomer, Isomer,
Flex Match or Similarity)
Reactions (Exact, Substructure, Similar Reaction or
Contains Exact Reaction, Reactants or Products)
References (e.g. Author, Year, Journal Name, Coden,
ISSN, Patent Number).
A quicksearch textbox has been added on the SPRESIweb
intropage. Entering keywords the user can perform a quick search
through the basic index of structures, reactions and references.
A short hit list (molecules, reactions, references) shows how many
hits have been found in the three different categories enabling to
access directly the detailed hit list in SPRESIweb.
Synthesis Tree Search (STS)
Synthesis of given target molecules can be planned interactively with
SPRESIweb also contains links with other web sites of interest such as
New chemicals suppliers are continually being added and include:
ChemiK, Apollo Scientific, Oakwood, Sinova, ABCR, ASDI, ChemPacific,
PharmaCore, SynQuest, Frontier Scientific, FDI Chemicals, Synchem
Inc., Otava, Synthonix, ChemCollect, Acros, Fisher Scientific,
Maybridge and Enamine.
A complete list is
is available from the SPRESI site.
The user can identify which substances contained in his hit lists are
commercially available directly during the search and order them right
away through the hyperlink to homepage/online catalogue of the
This feature also allows supplier specific structure searches.
Name Reactions Display
If a reaction belongs to one of the main name reactions listed in the
program Name Reactions it will be shown in the reaction hit list.
There are 498 name reactions and over 376,000 reactions of SPRESIweb
are assigned to one of these name reactions.
There are links with I-Lab from ACD/Labs to calculate spectra and just
recently in SPRESIweb 1H spectra calculation in SpecInfo is
However these links are to the vendors site and not CDS, where the
same calculations can be done.
Search for Chemical Calculated Descriptors
For molecules the search for chemical descriptors calculated with MOE
2004.3 is now possible. The descriptors are logP, rotable Bonds, H
acceptors and H donors.
Hit list Downloaded as pdf-file
In the new version of SPRESIweb 2.6 there is the option to download
molecule, reaction and reference hit lists as pdf-files.