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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        solvent 0
          isophorone 0
            isophorone diisocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      alpha,beta-unsaturated ketone 0
                                        enone 0
                                          isophorone 0
                                            isophorone diisocyanate 0
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