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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:[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
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Accession:CHEBI:126998 term browser browse the term
Definition:An azetidine that has formula C26H33N3O3S.
Synonyms:related_synonym: Formula=C26H33N3O3S;   InChI=1S/C26H33N3O3S/c1-27(2)16-8-9-21-12-14-22(15-13-21)26-24-19-28(17-6-7-18-29(24)25(26)20-30)33(31,32)23-10-4-3-5-11-23/h3-5,10-15,24-26,30H,6-7,16-20H2,1-2H3/t24-,25-,26-/m0/s1;   InChIKey=MWBXVRZKAQUJRG-GSDHBNRESA-N;   SMILES=CN(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4
 xref: LINCS:LSM-38561


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Term Annotations click to browse term
  CHEBI ontology 5053
    chemical entity 5053
      molecular entity 5052
        polyatomic entity 5033
          molecule 4876
            cyclic compound 4815
              ring assembly 67
                [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5053
    subatomic particle 5044
      composite particle 5044
        hadron 5044
          baryon 5044
            nucleon 5044
              atomic nucleus 5044
                atom 5044
                  main group element atom 5015
                    p-block element atom 5012
                      carbon group element atom 4929
                        carbon atom 4928
                          organic molecular entity 4928
                            organic molecule 4876
                              organic cyclic compound 4815
                                carbocyclic compound 245
                                  benzenoid aromatic compound 218
                                    benzenes 211
                                      [(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol 0
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