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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:N-[3-(dimethylamino)propyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
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Accession:CHEBI:102890 term browser browse the term
Definition:A pyran that has formula C19H31N5O5.
Synonyms:related_synonym: Formula=C19H31N5O5;   InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15-,16-/m0/s1;   InChIKey=IXKFMJFBYVYICU-JYJNAYRXSA-N;   SMILES=CC1=C(C(=NO1)C)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C
 xref: LINCS:LSM-14236

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                oxacycle 0
                  pyrans 0
                    N-[3-(dimethylamino)propyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide 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
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    pyrans 0
                                      N-[3-(dimethylamino)propyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide 0
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