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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 21726
    chemical entity 21724
      group 21601
        inorganic group 20474
          nitro group 7407
            nitro compound 7407
              C-nitro compound 6992
                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 21726
    subatomic particle 21712
      composite particle 21712
        hadron 21712
          baryon 21712
            nucleon 21712
              atomic nucleus 21712
                atom 21712
                  main group element atom 21629
                    p-block element atom 21629
                      carbon group element atom 21433
                        carbon atom 21333
                          organic molecular entity 21333
                            organic group 19889
                              organic divalent group 19880
                                organodiyl group 19880
                                  carbonyl group 19863
                                    carbonyl compound 19863
                                      carboxylic acid 19155
                                        aromatic carboxylic acid 11372
                                          benzoic acids 11344
                                            nitrobenzoic acid 30
                                              4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester 0
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