Chemical Identifier Resolver
Getting started ...
|| This service works as a resolver for different chemical structure identifiers and allows one to convert a | given structure identifier into another representation or structure identifier. It can help you identify| and find the chemical structure if you have an identifier such as an InChIKey. You can either use | the resolver web form above or use the following simple URL API scheme:|
| |https://cactus.nci.nih.gov/chemical/structure/"structure identifier"/"representation"
|Example: Chemical name to Standard InChIKey:
https://cactus.nci.nih.gov/chemical/structure/aspirin/stdinchikey
| The service returns the requested new structure representation with a corresponding MIME-Type specification| (in most cases MIME-Type: "text/plain"). If a requested URL is not resolvable for the | service an HTML 404 status message is returned. In the (unlikely) case of an error, | an HTML 500 status message is generated. | || Note: Triple bonds in SMILES strings represented by '#' have to be URL-escaped as '%23' (e.g. the SMILES string of ethyne has to be specified as 'C%23C' instead of 'C#C' if encoded as part of a URL). Similarly, question marks, which can occur in InChI, need to be URL-escaped as %3F.| | |
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