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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:nitrosobis(2-oxopropyl)amine
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Accession:CHEBI:134609 term browser browse the term
Definition:A nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible).
Synonyms:exact_synonym: N,N-bis(2-oxopropyl)nitrous amide
 related_synonym: 2,2'-dioxo-di-n-propylnitrosamine;   2,2'-dioxopropyl-N-propylnitrosamine;   BOP;   Formula=C6H10N2O3;   InChI=1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3;   InChIKey=AKRYBBWYDSDZHG-UHFFFAOYSA-N;   N,N-di(2-oxopropyl)nitrosamine;   N-nitroso-N,N-di(2-oxypropyl)amine;   SMILES=N(N=O)(CC(C)=O)CC(C)=O;   bis-(2-oxopropyl)-N-nitrosamine
 xref: CAS:60599-38-4
 xref_mesh: MESH:C013622
 xref: PMID:17449904;   PMID:17510084;   PMID:18346132;   PMID:19846949;   PMID:21989024;   PMID:22225405;   PMID:22249130;   PMID:26354381;   PMID:26788138;   PMID:857032;   Reaxys:2245698


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  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          carcinogenic agent 0
            nitrosobis(2-oxopropyl)amine 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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      nitrosobis(2-oxopropyl)amine 0
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