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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:2-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane
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Accession:CHEBI:114803 term browser browse the term
Definition:An azaspiro compound that has formula C20H31N5S.
Synonyms:related_synonym: Formula=C20H31N5S;   InChI=1S/C20H31N5S/c1-19(2,3)25-18(21-22-23-25)17(16-9-7-14-26-16)24-13-8-12-20(15-24)10-5-4-6-11-20/h7,9,14,17H,4-6,8,10-13,15H2,1-3H3;   InChIKey=ZUDUIVDMNJJWCM-UHFFFAOYSA-N;   SMILES=CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCCC4(C3)CCCCC4
 xref: LINCS:LSM-26265


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  CHEBI ontology 400
    chemical entity 400
      group 394
        polyatomic entity 393
          molecule 374
            cyclic compound 355
              polycyclic compound 124
                spiro compound 24
                  azaspiro compound 1
                    2-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane 0
Path 2
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  CHEBI ontology 400
    subatomic particle 400
      composite particle 400
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 393
                    p-block element atom 393
                      carbon group element atom 381
                        carbon atom 380
                          organic molecular entity 380
                            organic molecule 371
                              organic cyclic compound 355
                                organic heterocyclic compound 319
                                  organonitrogen heterocyclic compound 281
                                    azaspiro compound 1
                                      2-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane 0
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