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UniChem efficiently produces cross-references between chemical structure identifiers from different databases (more background). Use the form below to search UniChem...


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Within UniChem, molecules from different sources are considered identical if they share the same Standard InChI. Mappings between the identifiers for these molecules may be achieved here.

Use the query form below to search UniChem with structures (InChIs or InChIKeys) or with src_compound_id's from various sources. Some example queries are given at the foot of the page to help you get started. For formatting tips go here. For larger queries, users are strongly advised to use the web services instead.

Queries return a list of src_compound_id-to-structure 'assignments', and related information ( What's an 'assignment?' ).



Query UniChem...
Query term(s):

src_compound_id

InChI

InChIKey
Source: Searching with src_compound_ids requires that the source of the ids is specified (why?)
[ Further Options ]
When searching with src_compound_ids you may 'Exclude' or 'Include' obsolete query src_compound_id assignments...
Exclude Include
However, it is recommended the user leaves this option as 'Exclude' unless data relating to structures which are connected to the query src_compound_id's by an obsolete assignment are required. For a more detailed explanation of this option go here.



Example Queries

  1. CHEMBL2 ... a src_compound_id from the 'ChEMBL' source, whose structure also exists in several other sources.
  2. CHEMBL121 ... Rosiglitazone as identified in the 'ChEMBL' source.
  3. CHEMBL68500 ...a src_compound_id which maps to two chebi ids.
  4. CDY ... a src-compound_id from the 'PDB' source whose structure also exists in several other sources.
  5. CHEMBL1093743 CHEMBL390210 CHEMBL519160 CHEMBL1094 CHEMBL109420 ... A list of ChEMBL src_compound_ids, some of which also found in other sources, and one of which is now obsolete.
  6. ZSPRVFAXZGWXQT-LLVKDONJSA-N HNHCIVXQBMBKPQ-ARMUENPQSA-N .... Two InChIKeys found in different sources.
  7. InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 ... An InChI found in several sources.
BMB EU-OPENSCREEN
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