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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:4-nitrobenzyl bromide
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Accession:CHEBI:62822 term browser browse the term
Definition:A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position.
Synonyms:exact_synonym: 1-(bromomethyl)-4-nitrobenzene
 related_synonym: 4-(Bromomethyl)nitrobenzene;   Formula=C7H6BrNO2;   InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2;   InChIKey=VOLRSQPSJGXRNJ-UHFFFAOYSA-N;   Nitrobenzyl bromide;   SMILES=[O-][N+](=O)c1ccc(CBr)cc1;   alpha-Bromo-4-nitrotoluene;   alpha-Bromo-p-nitrotoluene;   alpha-Bromoparanitrotoluene;   p-(Bromomethyl)nitrobenzene;   p-Nitrobenzyl bromide
 xref: CAS:100-11-8
 xref_mesh: MESH:C027563
 xref: PMID:14505719;   PMID:19739607;   PMID:19928804;   PMID:20092329;   PMID:20940038;   PMID:2282796;   PMID:29079364;   PMID:6530466;   PMID:7190617;   PMID:9565311;   Patent:WO2010052536;   Reaxys:742796

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4-nitrobenzyl bromide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akr1c2 aldo-keto reductase family 1, member C2 increases activity
increases expression		 ISO 4-nitrobenzyl bromide results in increased activity of AKR1C2 promoter
4-nitrobenzyl bromide results in increased expression of AKR1C2 mRNA		 CTD PMID:21195160 PMID:25724174 NCBI chr17:69,388,337...69,435,160
Ensembl chr17:69,388,335...69,404,341 		JBrowse link
G Atf3 activating transcription factor 3 increases expression ISO 4-nitrobenzyl bromide results in increased expression of ATF3 mRNA CTD PMID:23999411 NCBI chr13:109,817,892...109,849,632
Ensembl chr13:109,817,728...109,849,632 		JBrowse link
G Dnajb4 DnaJ heat shock protein family (Hsp40) member B4 increases expression ISO 4-nitrobenzyl bromide results in increased expression of DNAJB4 mRNA CTD PMID:23999411 NCBI chr 2:257,394,692...257,425,344
Ensembl chr 2:257,394,818...257,425,242 		JBrowse link
G Gclm glutamate cysteine ligase, modifier subunit increases expression ISO 4-nitrobenzyl bromide results in increased expression of GCLM mRNA CTD PMID:23999411 NCBI chr 2:225,827,504...225,847,876
Ensembl chr 2:225,827,504...225,847,874 		JBrowse link
G Hmox1 heme oxygenase 1 increases expression ISO 4-nitrobenzyl bromide results in increased expression of HMOX1 mRNA CTD PMID:23445166 PMID:25724174 PMID:26244607 NCBI chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456 		JBrowse link
G Il18 interleukin 18 increases expression ISO 4-nitrobenzyl bromide results in increased expression of IL18 protein CTD PMID:23063874 NCBI chr 8:55,009,666...55,016,286
Ensembl chr 8:54,993,859...55,016,299 		JBrowse link
G LOC686035 similar to heat shock 70kDa protein 6 (HSP70B) increases expression ISO 4-nitrobenzyl bromide results in increased expression of HSPA6 mRNA CTD PMID:23999411 NCBI chr13:89,408,703...89,411,500 JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 increases expression ISO 4-nitrobenzyl bromide results in increased expression of NQO1 mRNA CTD PMID:25724174 NCBI chr19:38,422,210...38,437,103
Ensembl chr19:38,422,164...38,437,180 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      biological role 19792
        aetiopathogenetic role 18974
          sensitiser 9737
            4-nitrobenzyl bromide 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            heteroorganic entity 19217
                              organohalogen compound 17862
                                organobromine compound 5409
                                  benzyl bromides 13
                                    4-nitrobenzyl bromide 8
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