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: (3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
Accession: CHEBI:10576
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Definition: A chlorocyclohexene that is cyclohexene which carries 5 chlorines at positions 1,3,4,5 and 6, respectively. It has (3R,4S,5S,6R) configuration.
Synonyms: related_synonym: (1,3R,4S,5S,6R)-pentachlorocyclohexene; (3R,4S,5S,6R)-pentachlorocyclohexene; 1,3(R),4(S),5(S),6(R)-PCCH; 3(R),4(S),5(S),6(R)-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+/m1/s1; InChIKey=MQYAVRUCONBHOR-JSTMLOLSSA-N; SMILES=[C@@H]1([C@H]([C@@H](C=C([C@@H]1Cl)Cl)Cl)Cl)Cl
xref: PMID:11099497; PMID:1712426
cyclic_relationship: is_enantiomer_of CHEBI:142493
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
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
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
0
rac-gamma-pentachlorocyclohexene
0
Path 2
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
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
0
rac-gamma-pentachlorocyclohexene
0