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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-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
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Accession:CHEBI:96352 term browser browse the term
Definition:An aromatic ether that has formula C19H29BrN4O4.
Synonyms:related_synonym: Formula=C19H29BrN4O4;   InChI=1S/C19H29BrN4O4/c1-5-6-21-19(27)23(4)10-16-12(2)9-24(13(3)11-25)18(26)15-7-14(20)8-22-17(15)28-16/h7-8,12-13,16,25H,5-6,9-11H2,1-4H3,(H,21,27)/t12-,13-,16+/m1/s1;   InChIKey=LKDAMHONCJEZRZ-IOASZLSFSA-N;   SMILES=CCCNC(=O)N(C)C[C@H]1[C@@H](CN(C(=O)C2=CC(=CN=C2O1)Br)[C@H](C)CO)C
 xref: LINCS:LSM-7731



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      group 19791
        polyatomic entity 19790
          molecule 19695
            organic molecule 19680
              organic cyclic compound 19492
                organic aromatic compound 19363
                  aromatic ether 16525
                    1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      p-block molecular entity 19782
                        carbon group molecular entity 19730
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19243
                                organooxygen compound 19158
                                  ether 17280
                                    aromatic ether 16525
                                      1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea 0
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