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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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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                nitrobenzoic acid 0
                  4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        aromatic carboxylic acid 0
                                          benzoic acids 0
                                            nitrobenzoic acid 0
                                              4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester 0
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