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Posts tagged “CTS

PubChem 446220 = Yeyo


I just updated my R package, CTSgetR, for biological database translation using the Chemical Translation Service (CTS). While making code examples I came across some humorous chemical name synonyms for the molecule referenced in PubChem  as CID = 446220. googleBelow are a few examples, can you guess what this is?

Badrock, Bazooka, Bernice, Bernies, Blast, Blizzard, Bouncing Powder, Bump, Burese, C Carrie, Cabello, Candy, Caviar, Cecil, Charlie, Chicken Scratch, Cholly, Coca, Cocktail, Cola, Dama blanca, Dust, Flake, Flex, Florida Snow, Foo Foo, Freeze, Girl, Gold dust, Goofball, Green gold, G-Rock, Happy dust, Happy powder, Happy trails, Heaven, Hell, Jam, Kibbles n’ Bits, Kokan, Kokayeen, Lady, Leaf, Line, Moonrocks, Pimp’s drug, Prime Time, Rock, Sleighride, Snort, Snow (birds), Star dust, Star-spangled powder, Sugar, Sweet Stuff, Toke, Toot, Trails, White girl or lady, Yeyo, Zip


Translating between identifiers: R interface to the Chemical Translation Service (CTS)


To enhance inference using  domain knowledge it is necessary to match your query to a database containing domain knowledge.

The Chemical Translation Service (CTS) can be used to translate between molecular identifiers for many (~400K) naturally occurring biological small molecules or metabolites, which enables

CTSgetR , is an easy to use R interface to CTS, which enables translation between the following repositories of biological domain knowledge:

  • “Chemical Name”
  • “InChIKey”
  • “InChI Code”
  • “PubChem CID”
  • “Pubchem SID”
  • “ChemDB”
  • “ZINC”
  • “Southern Research Institute”
  • “Specs”
  • “MolPort”
  • “ASINEX”
  • “ChemBank”
  • “MLSMR”
  • “Emory University Molecular Libraries Screening Center”
  • “ChemSpider”
  • “DiscoveryGate”
  • “Ambinter”
  • “Vitas-M Laboratory”
  • “ChemBlock”

Check out an example translation from the universal molecular identifier, InchiKey, to the well referenced  PubChem Chemical Identifier (CID)