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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:(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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Accession:CHEBI:124584 term browser browse the term
Definition:A dialkylarylamine that has formula C25H36N4O3.
Synonyms:related_synonym: Formula=C25H36N4O3;   InChI=1S/C25H36N4O3/c1-18-14-29(19(2)17-30)25(31)13-21-12-22(27(3)4)6-7-23(21)32-24(18)16-28(5)15-20-8-10-26-11-9-20/h6-12,18-19,24,30H,13-17H2,1-5H3/t18-,19+,24-/m0/s1;   InChIKey=UFZWUKYQTKBBIK-GLDPYIMESA-N;   SMILES=C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)CC3=CC=NC=C3)[C@H](C)CO
 xref: LINCS:LSM-36026


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  CHEBI ontology 5076
    role 5041
      application 884
        NMR chemical shift reference compound 421
          ammonia 393
            organic amino compound 286
              tertiary amino compound 69
                (2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5076
    subatomic particle 5067
      composite particle 5067
        hadron 5067
          baryon 5067
            nucleon 5067
              atomic nucleus 5067
                atom 5067
                  main group element atom 5037
                    main group molecular entity 5036
                      s-block molecular entity 4967
                        hydrogen molecular entity 4960
                          hydrides 4566
                            inorganic hydride 405
                              pnictogen hydride 401
                                nitrogen hydride 401
                                  azane 393
                                    ammonia 393
                                      organic amino compound 286
                                        amine 7
                                          alkylamines 0
                                            dialkylarylamine 0
                                              (2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one 0
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