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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-tert-butylphenyl) ester
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Accession:CHEBI:105838 term browser browse the term
Definition:An alkylbenzene that has formula C19H28N2O3S2.
Synonyms:related_synonym: Formula=C19H28N2O3S2;   InChI=1S/C19H28N2O3S2/c1-6-21(7-2)18(25)26-13-12-16(22)20-17(23)24-15-10-8-14(9-11-15)19(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,20,22,23);   InChIKey=FCQGKXQHOMXLGE-UHFFFAOYSA-N;   SMILES=CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C(C)(C)C
 xref: LINCS:LSM-17199


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  CHEBI ontology 400
    role 400
      chemical role 324
        environmental contaminant 47
          benzene 12
            alkylbenzene 12
              N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-tert-butylphenyl) ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 400
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 393
                    main group molecular entity 393
                      s-block molecular entity 337
                        hydrogen molecular entity 336
                          hydrides 276
                            organic hydride 70
                              organic fundamental parent 70
                                hydrocarbon 48
                                  cyclic hydrocarbon 25
                                    monocyclic hydrocarbon 13
                                      annulene 12
                                        aromatic annulene 12
                                          benzene 12
                                            alkylbenzene 12
                                              N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-tert-butylphenyl) ester 0
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