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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:1-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
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Accession:CHEBI:104323 term browser browse the term
Definition:An azamacrocycle that has formula C28H35FN4O5.
Synonyms:related_synonym: Formula=C28H35FN4O5;   InChI=1S/C28H35FN4O5/c1-17-14-33(26(34)19-8-9-19)18(2)16-38-24-11-10-22(13-23(24)27(35)32(3)15-25(17)37-4)31-28(36)30-21-7-5-6-20(29)12-21/h5-7,10-13,17-19,25H,8-9,14-16H2,1-4H3,(H2,30,31,36)/t17-,18+,25+/m1/s1;   InChIKey=UCDDDGMWGBQWAH-UZEJHQAJSA-N;   SMILES=C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4
 xref: LINCS:LSM-15688


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Term Annotations click to browse term
  CHEBI ontology 22182
    chemical entity 22181
      molecular entity 22173
        polyatomic entity 22077
          molecule 21676
            cyclic compound 21262
              macrocycle 7871
                azamacrocycle 17
                  1-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22182
    subatomic particle 22174
      composite particle 22174
        hadron 22174
          baryon 22174
            nucleon 22174
              atomic nucleus 22174
                atom 22174
                  main group element atom 22108
                    p-block element atom 22108
                      carbon group element atom 21909
                        carbon atom 21835
                          organic molecular entity 21835
                            heteroorganic entity 21490
                              organochalcogen compound 20980
                                organooxygen compound 20821
                                  carbon oxoacid 19614
                                    carboxylic acid 19610
                                      carboacyl group 18280
                                        univalent carboacyl group 18280
                                          carbamoyl group 18092
                                            carboxamide 18092
                                              lactam 8454
                                                1-[(4S,7R,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea 0
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