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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 19800
    role 19751
      biological role 19751
        hapten 3023
          toluene 2,6-diisocyanate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            heteroorganic entity 19278
                              organochalcogen compound 19052
                                organooxygen compound 18998
                                  isocyanates 347
                                    diisocyanate 311
                                      toluene meta-diisocyanate 256
                                        toluene 2,6-diisocyanate 3
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