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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:(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Accession:CHEBI:113645 term browser browse the term
Definition:A dialkylarylamine that has formula C24H34N4O3.
Synonyms:related_synonym: Formula=C24H34N4O3;   InChI=1S/C24H34N4O3/c1-17-13-28(18(2)16-29)24(30)20-7-6-8-21(26(3)4)23(20)31-22(17)15-27(5)14-19-9-11-25-12-10-19/h6-12,17-18,22,29H,13-16H2,1-5H3/t17-,18+,22+/m0/s1;   InChIKey=OVBQAIOLOOTXQW-NJNPRVFISA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[C@H](C)CO
 xref: LINCS:LSM-25077


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Term Annotations click to browse term
  CHEBI ontology 22208
    role 22193
      application 21779
        NMR chemical shift reference compound 18804
          ammonia 18461
            organic amino compound 18461
              tertiary amino compound 10307
                (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22208
    subatomic particle 22200
      composite particle 22200
        hadron 22200
          baryon 22200
            nucleon 22200
              atomic nucleus 22200
                atom 22200
                  main group element atom 22134
                    main group molecular entity 22134
                      s-block molecular entity 21732
                        hydrogen molecular entity 21649
                          hydrides 20785
                            inorganic hydride 18709
                              pnictogen hydride 18689
                                nitrogen hydride 18558
                                  azane 18462
                                    ammonia 18461
                                      organic amino compound 18461
                                        amine 8328
                                          alkylamines 191
                                            dialkylarylamine 0
                                              (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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