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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-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
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Accession:CHEBI:123788 term browser browse the term
Definition:An azamacrocycle that has formula C30H41F3N4O5.
Synonyms:related_synonym: Formula=C30H41F3N4O5;   InChI=1S/C30H41F3N4O5/c1-19-17-37(20(2)18-38)28(39)25-15-24(36-29(40)35-23-10-8-22(9-11-23)30(31,32)33)12-13-26(25)42-21(3)7-5-6-14-41-27(19)16-34-4/h8-13,15,19-21,27,34,38H,5-7,14,16-18H2,1-4H3,(H2,35,36,40)/t19-,20+,21-,27+/m0/s1;   InChIKey=JTLOVMZMVDHICP-ZZWZOVRCSA-N;   SMILES=C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CNC
 xref: LINCS:LSM-35230


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    chemical entity 22193
      molecular entity 22185
        polyatomic entity 22089
          molecule 21688
            cyclic compound 21274
              macrocycle 7877
                azamacrocycle 17
                  1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21921
                        carbon atom 21847
                          organic molecular entity 21847
                            heteroorganic entity 21503
                              organochalcogen compound 20992
                                organooxygen compound 20834
                                  carbon oxoacid 19625
                                    carboxylic acid 19621
                                      carboacyl group 18295
                                        univalent carboacyl group 18295
                                          carbamoyl group 18108
                                            carboxamide 18108
                                              lactam 8461
                                                1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea 0
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