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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-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester
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Accession:CHEBI:107365 term browser browse the term
Definition:A benzenesulfonate ester that has formula C24H26N4O6S.
Synonyms:related_synonym: Formula=C24H26N4O6S;   InChI=1S/C24H26N4O6S/c1-5-33-19-12-16(8-11-18(19)34-35(31,32)17-9-6-13(2)7-10-17)22(20-14(3)25-27-23(20)29)21-15(4)26-28-24(21)30/h6-12,22H,5H2,1-4H3,(H2,25,27,29)(H2,26,28,30);   InChIKey=QCDJENTUMCYGBV-UHFFFAOYSA-N;   SMILES=CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C
 xref: LINCS:LSM-18719


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19832
    chemical entity 19830
      group 19789
        inorganic group 19382
          sulfo group 9913
            organosulfonic acid 9913
              arenesulfonic acid 690
                arenesulfonate ester 81
                  benzenesulfonate ester 0
                    4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    p-block element atom 19780
                      chalcogen 19535
                        oxygen atom 19510
                          oxygen molecular entity 19510
                            hydroxides 19321
                              oxoacid 18746
                                chalcogen oxoacid 13770
                                  sulfur oxoacid 13558
                                    sulfonic acid 11597
                                      sulfo group 9913
                                        organosulfonic acid 9913
                                          arenesulfonic acid 690
                                            benzenesulfonic acids 1
                                              benzenesulfonic acid 0
                                                benzenesulfonate ester 0
                                                  4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester 0
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