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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:nitromethane
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Accession:CHEBI:77701 term browser browse the term
Definition:A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.
Synonyms:related_synonym: CH3NO2;   Formula=CH3NO2;   InChI=1S/CH3NO2/c1-2(3)4/h1H3;   InChIKey=LYGJENNIWJXYER-UHFFFAOYSA-N;   MeNO2;   SMILES=C[N+]([O-])=O
 xref: CAS:75-52-5;   KEGG:C19275;   MetaCyc:CPD-8133;   PMID:11100413;   PMID:21860501;   PMID:26735907;   PMID:26800205;   PMID:4207867;   PMID:999282;   Reaxys:1698205;   Wikipedia:Nitromethane



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Term Annotations click to browse term
  CHEBI ontology 19879
    role 19850
      chemical role 19480
        NMR chemical shift reference compound 18074
          nitromethane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      pnictogen 19077
                        nitrogen atom 18979
                          nitrogen molecular entity 18979
                            nitro compound 11128
                              C-nitro compound 10854
                                nitrohydrocarbon 1568
                                  nitroalkane 50
                                    primary nitroalkane 41
                                      nitromethane 0
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