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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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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              ring assembly 0
                [(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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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      [(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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