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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 1271
    role 1271
      application 1230
        solvent 83
          isophorone 0
            isophorone diisocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1271
    subatomic particle 1271
      composite particle 1271
        hadron 1271
          baryon 1271
            nucleon 1271
              atomic nucleus 1271
                atom 1271
                  main group element atom 1264
                    p-block element atom 1264
                      carbon group element atom 1254
                        carbon atom 1253
                          organic molecular entity 1253
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbonyl compound 404
                                    ketone 48
                                      alpha,beta-unsaturated ketone 25
                                        enone 25
                                          isophorone 0
                                            isophorone diisocyanate 0
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