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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:isophorone diisocyanate
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Accession:CHEBI:53214 term browser browse the term
Definition:A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.
Synonyms:exact_synonym: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
 related_synonym: 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate;   Formula=C12H18N2O2;   IPDI;   InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3;   InChIKey=NIMLQBUJDJZYEJ-UHFFFAOYSA-N;   Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester;   Isophorone diamine diisocyanate;   SMILES=CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
 xref: CAS:4098-71-9
 xref_mesh: MESH:C015301
 xref: PMID:1447476;   PMID:19851844;   PMID:20817708;   PMID:22237013;   PMID:23218325;   PMID:23394610;   PMID:23484438;   PMID:23548862;   PMID:23564646;   PMID:23648023;   Wikipedia:Isophorone_diisocyanate



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isophorone diisocyanate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cxcl15 C-X-C motif chemokine ligand 15 increases expression
multiple interactions
ISO isophorone diisocyanate results in increased expression of CXCL8 mRNA
[isophorone diisocyanate co-treated with lipopolysaccharide, E. coli O26-B6] results in decreased expression of CXCL8 mRNA
CTD PMID:29594315 NCBI chr 5:90,942,393...90,950,926
Ensembl chr 5:90,942,393...90,950,926
JBrowse link
G Il10 interleukin 10 increases expression EXP isophorone diisocyanate results in increased expression of IL10 protein CTD PMID:19422874 NCBI chr 1:130,947,459...130,952,707
Ensembl chr 1:130,947,582...130,952,711
JBrowse link
G Il13 interleukin 13 increases secretion EXP isophorone diisocyanate results in increased secretion of IL13 protein CTD PMID:17693426 NCBI chr11:53,522,150...53,525,529
Ensembl chr11:53,522,151...53,525,529
JBrowse link
G Il1b interleukin 1 beta decreases expression ISO isophorone diisocyanate results in decreased expression of IL1B mRNA CTD PMID:29594315 NCBI chr 2:129,206,490...129,213,059
Ensembl chr 2:129,206,490...129,213,059
JBrowse link
G Il2 interleukin 2 multiple interactions ISO [isophorone diisocyanate co-treated with Ionomycin co-treated with Tetradecanoylphorbol Acetate] results in decreased expression of IL2 mRNA CTD PMID:29594315 NCBI chr 3:37,174,862...37,180,103
Ensembl chr 3:37,174,672...37,180,108
JBrowse link
G Il4 interleukin 4 increases expression
increases secretion
EXP isophorone diisocyanate results in increased expression of IL4 protein
isophorone diisocyanate results in increased secretion of IL4 protein
CTD PMID:17693426 PMID:19422874 NCBI chr11:53,503,287...53,509,492
Ensembl chr11:53,493,809...53,509,496
JBrowse link
G Nfe2l2 nuclear factor, erythroid derived 2, like 2 affects response to substance EXP NFE2L2 affects the susceptibility to isophorone diisocyanate CTD PMID:23564646 NCBI chr 2:75,505,860...75,535,007
Ensembl chr 2:75,505,857...75,534,985
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22327
    role 22313
      application 21949
        solvent 18540
          isophorone 10
            isophorone diisocyanate 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 22327
    subatomic particle 22322
      composite particle 22322
        hadron 22322
          baryon 22322
            nucleon 22322
              atomic nucleus 22322
                atom 22322
                  main group element atom 22204
                    p-block element atom 22204
                      carbon group element atom 22007
                        carbon atom 21947
                          organic molecular entity 21947
                            heteroorganic entity 21597
                              organochalcogen compound 21092
                                organooxygen compound 20949
                                  carbonyl compound 20287
                                    ketone 18065
                                      alpha,beta-unsaturated ketone 10085
                                        enone 10085
                                          isophorone 10
                                            isophorone diisocyanate 7
paths to the root