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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 chr20:13,799,102...13,816,527
Ensembl chr20:13,799,102...13,816,526
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  CHEBI ontology 19816
    role 19764
      biological role 19764
        aetiopathogenetic role 18960
          genotoxin 16978
            mutagen 16794
              p-nitrobenzyl chloride 1
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            heteroorganic entity 19184
                              organohalogen compound 17784
                                organochlorine compound 17555
                                  benzyl chlorides 1
                                    p-nitrobenzyl chloride 1
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