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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-nitrosodiethylamine
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Accession:CHEBI:34873 term browser browse the term
Definition:A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.
Synonyms:exact_synonym: N-ethyl-N-nitrosoethanamine
 related_synonym: 1,1-diethyl-2-oxohydrazine;   DANA;   DEN;   Diethylnitrosamine;   Formula=C4H10N2O;   InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3;   InChIKey=WBNQDOYYEUMPFS-UHFFFAOYSA-N;   N,N-diethylnitrosamine;   N,N-diethylnitrosoamine;   NDEA;   SMILES=CCN(CC)N=O;   diethylnitrosoamine
 xref: Beilstein:1744991;   CAS:55-18-5;   KEGG:C14422
 xref_mesh: MESH:D004052
 xref: PMID:24696076;   PMID:24755254;   Reaxys:1744991


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21475
    role 21452
      biological role 21451
        aetiopathogenetic role 20539
          hepatotoxic agent 14706
            N-nitrosodiethylamine 3199
              N-ethyl-N-(2-hydroxyethyl)nitrosamine 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 21475
    subatomic particle 21460
      composite particle 21460
        hadron 21460
          baryon 21460
            nucleon 21460
              atomic nucleus 21460
                atom 21460
                  main group element atom 21361
                    p-block element atom 21361
                      p-block molecular entity 21360
                        pnictogen molecular entity 19379
                          nitrogen molecular entity 19180
                            nitroso compound 5028
                              nitrosamine 3765
                                N-nitrosodiethylamine 3199
                                  N-ethyl-N-(2-hydroxyethyl)nitrosamine 1
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