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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 chr14:19,176,275...19,191,793
Ensembl chr14:19,176,277...19,191,863
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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 7:94,479,931...94,563,086
Ensembl chr 7:94,480,396...94,563,001
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 4:33,638,853...33,646,819
Ensembl chr 4:33,638,709...33,646,819
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        hapten 3014
          toluene 2,6-diisocyanate 3
Path 2
Term Annotations click to browse term
  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
                              organochalcogen compound 18894
                                organooxygen compound 18816
                                  isocyanates 338
                                    diisocyanate 304
                                      toluene meta-diisocyanate 248
                                        toluene 2,6-diisocyanate 3
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