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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:4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester
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Accession:CHEBI:122034 term browser browse the term
Definition:A nitrobenzoic acid that has formula C16H20N2O5S.
Synonyms:related_synonym: Formula=C16H20N2O5S;   InChI=1S/C16H20N2O5S/c1-23-16(20)11-7-8-14(13(9-11)18(21)22)24-10-15(19)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,19);   InChIKey=RULRIFKPXKSRTF-UHFFFAOYSA-N;   SMILES=COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCCC2)[N+](=O)[O-]
 xref: LINCS:LSM-33477


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    chemical entity 19761
      group 19678
        inorganic group 19163
          nitro group 7391
            nitro compound 7391
              C-nitro compound 6995
                nitrobenzoic acid 30
                  4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      carboxylic acid 18151
                                        aromatic carboxylic acid 11266
                                          benzoic acids 11237
                                            nitrobenzoic acid 30
                                              4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester 0
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