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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:(3S,4R,5R,6S)-1,3,4,5,6-pentachlorocyclohexene
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Accession:CHEBI:142493 term browser browse the term
Definition:A chlorocyclohexene that is cyclohexene which carries 5 chlorines at positions 1,3,4,5 and 6, respectively. It has (3S,4R,5R,6S) configuration.
Synonyms:related_synonym: (1,3S,4R,5R,6S)-pentachlorocyclohexene;   (3S,4R,5R,6S)-pentachlorocyclohexene;   1,3(S),4(R),5(R),6(S)-PCCH;   3(S),4(R),5(R),6(S)-PCCH;   Formula=C6H5Cl5;   InChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H/t2-,4+,5+,6+/m0/s1;   InChIKey=MQYAVRUCONBHOR-REXQBJLCSA-N;   SMILES=[C@H]1([C@@H]([C@H](C=C([C@H]1Cl)Cl)Cl)Cl)Cl
 xref: PMID:11099497
 cyclic_relationship: is_enantiomer_of CHEBI:10576


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        polyatomic entity 19767
          heteroatomic molecular entity 19723
            halide 18642
              organohalogen compound 18484
                halohydrocarbon 15471
                  chlorohydrocarbon 11306
                    chlorocyclohexene 0
                      (3S,4R,5R,6S)-1,3,4,5,6-pentachlorocyclohexene 0
                        rac-gamma-pentachlorocyclohexene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  olefin 8910
                                    cyclic olefin 416
                                      monocyclic olefin 413
                                        cycloalkene 406
                                          cyclohexene 3
                                            chlorocyclohexene 0
                                              (3S,4R,5R,6S)-1,3,4,5,6-pentachlorocyclohexene 0
                                                rac-gamma-pentachlorocyclohexene 0
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