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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:p-nitrobenzyl chloride
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Accession:CHEBI:87406 term browser browse the term
Definition:A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group.
Synonyms:exact_synonym: 1-(chloromethyl)-4-nitrobenzene
 related_synonym: 4-(chloromethyl)nitrobenzene;   4-nitrobenzyl chloride;   Formula=C7H6ClNO2;   InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2;   InChIKey=KGCNHWXDPDPSBV-UHFFFAOYSA-N;   SMILES=[O-][N+](=O)c1ccc(CCl)cc1;   alpha-chloro-4-nitrotoluene;   alpha-chloro-p-nitrotoluene;   p-(chloromethyl)nitrobenzene
 xref: CAS:100-14-1
 xref_mesh: MESH:C027562
 xref: PMID:12710888;   PMID:23132563;   PMID:23803552;   PMID:3011800;   PMID:6358331;   PMID:6392873;   Reaxys:387187


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p-nitrobenzyl chloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gstt1 glutathione S-transferase theta 1 affects metabolic processing
increases glutathionylation		 ISO GSTT1 protein affects the metabolism of 4-nitrobenzyl chloride
GSTT1 protein results in increased glutathionylation of 4-nitrobenzyl chloride		 CTD PMID:9854036 PMID:15683365 PMID:19664997 NCBI chr20:12,856,613...12,873,586
Ensembl chr20:12,856,669...12,873,585 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        aetiopathogenetic role 19166
          genotoxin 17649
            mutagen 17569
              p-nitrobenzyl chloride 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organohalogen compound 18502
                                organochlorine compound 18278
                                  benzyl chlorides 1
                                    p-nitrobenzyl chloride 1
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