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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,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Accession:CHEBI:111546 term browser browse the term
Definition:A dialkylarylamine that has formula C18H29N3O3.
Synonyms:related_synonym: Formula=C18H29N3O3;   InChI=1S/C18H29N3O3/c1-12-10-21(13(2)11-22)18(23)14-7-6-8-15(20(4)5)17(14)24-16(12)9-19-3/h6-8,12-13,16,19,22H,9-11H2,1-5H3/t12-,13-,16+/m1/s1;   InChIKey=XJHVRUWFSLOUIR-IOASZLSFSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CNC)[C@H](C)CO
 xref: LINCS:LSM-22960


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  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              tertiary amino compound 0
                (2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
Path 2
Term Annotations click to browse term
  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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amine 0
                                          alkylamines 0
                                            dialkylarylamine 0
                                              (2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one 0
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