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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:isotretinoin
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Accession:CHEBI:6067 term browser browse the term
Definition:A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.
Synonyms:exact_synonym: (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
 related_synonym: (7E,9E,11E,13Z)-retinoic acid;   13-RA;   13-cis-Vitamin A acid;   13-cis-retinoic acid;   Accutane;   Amnesteem;   Claravis;   Formula=C20H28O2;   InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-;   InChIKey=SHGAZHPCJJPHSC-XFYACQKRSA-N;   Neovitamin A acid;   SMILES=CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\\C(O)=O;   cis-RA;   isotretinoina;   isotretinoine;   isotretinoino;   isotretinoinum
 xref: Beilstein:1885770;   CAS:4759-48-2;   DrugBank:DB00982;   Drug_Central:1508;   HMDB:HMDB0006219;   KEGG:D00348;   LIPID_MAPS_instance:LMPR01090021
 xref_mesh: MESH:D015474
 xref: PMID:11606947;   PMID:11866680;   PMID:15304471;   PMID:18077132;   PMID:18788179;   PMID:19568610;   PMID:20482692;   PMID:23676507;   PMID:9807973;   Patent:EP111325;   Patent:US4556518;   Reaxys:1885770;   Wikipedia:Isotretinoin
 cyclic_relationship: is_conjugate_acid_of CHEBI:169952


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Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      biological role 499
        aetiopathogenetic role 397
          teratogenic agent 54
            isotretinoin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    main group molecular entity 492
                      s-block molecular entity 437
                        hydrogen molecular entity 436
                          hydrides 365
                            organic hydride 71
                              organic fundamental parent 71
                                hydrocarbon 49
                                  terpene 20
                                    terpenoid 20
                                      diterpenoid 15
                                        retinoid 8
                                          retinoic acid 7
                                            isotretinoin 0
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