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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:toluene 2,6-diisocyanate
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Accession:CHEBI:53557 term browser browse the term
Definition:A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.
Synonyms:exact_synonym: 1,3-diisocyanato-2-methylbenzene
 related_synonym: 2,6-Diisocyanato-1-methylbenzene;   2,6-Diisocyanatotoluene;   2,6-TDI;   2-Methyl-meta-phenylene isocyanate;   Formula=C9H6N2O2;   InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3;   InChIKey=RUELTTOHQODFPA-UHFFFAOYSA-N;   Isocyanic acid, 2-methyl-meta-phenylene ester;   SMILES=Cc1c(cccc1N=C=O)N=C=O;   TDI;   m-Tolylene diisocyanate;   meta-Tolylene diisocyanate
 xref: Beilstein:2211546;   CAS:91-08-7
 xref_mesh: MESH:C026942
 xref: PMID:17042142;   PMID:21725071;   PMID:21878336;   PMID:22229538;   PMID:24572447;   PMID:24950844;   PMID:6296214;   PMID:7503403;   PMID:9811173;   Reaxys:2211546;   Wikipedia:Toluene_diisocyanate


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toluene 2,6-diisocyanate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alb albumin affects binding ISO 2,6-diisocyanatotoluene binds to ALB protein CTD PMID:9124697 NCBI chr14:17,607,397...17,622,814
Ensembl chr14:17,607,381...17,622,836 		JBrowse link
G Enpp2 ectonucleotide pyrophosphatase/phosphodiesterase 2 increases expression
multiple interactions		 ISO 2,6-diisocyanatotoluene results in increased expression of ENPP2 mRNA; 2,6-diisocyanatotoluene results in increased expression of ENPP2 protein
KN 62 inhibits the reaction [2,6-diisocyanatotoluene results in increased expression of ENPP2 mRNA]		 CTD PMID:22952646 NCBI chr 7:86,202,345...86,325,050
Ensembl chr 7:86,202,350...86,324,827 		JBrowse link
G Tac1 tachykinin, precursor 1 multiple interactions EXP [Toluene 2,4-Diisocyanate co-treated with 2,6-diisocyanatotoluene] results in increased expression of TAC1 mRNA; [Toluene 2,4-Diisocyanate co-treated with 2,6-diisocyanatotoluene] results in increased expression of TAC1 protein CTD PMID:10673198 NCBI chr 4:35,679,183...35,687,180
Ensembl chr 4:35,679,704...35,687,178 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      biological role 19711
        hapten 3027
          toluene 2,6-diisocyanate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            heteroorganic entity 19384
                              organochalcogen compound 19176
                                organooxygen compound 19095
                                  isocyanates 346
                                    diisocyanate 309
                                      toluene meta-diisocyanate 254
                                        toluene 2,6-diisocyanate 3
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