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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:(3R,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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Accession:CHEBI:102386 term browser browse the term
Definition:An urea that has formula C22H29Cl2N3O5.
Synonyms:related_synonym: Formula=C22H29Cl2N3O5;   InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19+,20-/m1/s1;   InChIKey=KPSAIAGNOOFEEI-YAJHFMINSA-N;   SMILES=C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O
 xref: LINCS:LSM-13737


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        agrochemical 0
          fertilizer 0
            urea 0
              ureas 0
                (3R,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide 0
Path 2
Term Annotations click to browse term
  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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                urea 0
                                                  ureas 0
                                                    (3R,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide 0
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