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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:2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
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Accession:CHEBI:107268 term browser browse the term
Definition:An alkylbenzene that has formula C20H23NO5S2.
Synonyms:related_synonym: Formula=C20H23NO5S2;   InChI=1S/C20H23NO5S2/c1-20(2,3)13-7-5-12(6-8-13)15-9-14(18(28-15)19(25)26-4)21-16(22)10-27-11-17(23)24/h5-9H,10-11H2,1-4H3,(H,21,22)(H,23,24);   InChIKey=QZLMIUVUIJWPFI-UHFFFAOYSA-N;   SMILES=CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)CSCC(=O)O
 xref: LINCS:LSM-18622


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      chemical role 420
        environmental contaminant 51
          benzene 13
            alkylbenzene 12
              2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            organic hydride 71
                              organic fundamental parent 71
                                hydrocarbon 49
                                  cyclic hydrocarbon 25
                                    monocyclic hydrocarbon 13
                                      annulene 12
                                        aromatic annulene 12
                                          benzene 13
                                            alkylbenzene 12
                                              2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid 0
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