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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-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid
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Accession:CHEBI:94002 term browser browse the term
Definition:A C-nitro compound that has formula C9H13N3O4.
Synonyms:related_synonym: Formula=C9H13N3O4;   InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14);   InChIKey=OKRDHPPYUAMLIR-UHFFFAOYSA-N;   SMILES=CC1=C(C(=NN1CCCC(=O)O)C)[N+](=O)[O-]
 xref: LINCS:LSM-4589



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      group 19791
        inorganic group 19383
          nitro group 11128
            nitro compound 11128
              C-nitro compound 10854
                4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic molecule 19680
                              C-nitro compound 10854
                                4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid 0
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