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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:(3R,4S)-BW 245C
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Accession:CHEBI:131500 term browser browse the term
Definition:A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C.
Synonyms:exact_synonym: 7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid
 related_synonym: (R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid;   Formula=C19H32N2O5;   InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1;   InChIKey=ZIDQIOZJEJFMOH-JKSUJKDBSA-N;   SMILES=C(CN1C(NC([C@@H]1CCCCCCC(O)=O)=O)=O)[C@H](C2CCCCC2)O
 xref: CAS:72880-75-2;   Reaxys:964619
 cyclic_relationship: is_enantiomer_of CHEBI:131501


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      chemical role 19288
        donor 18421
          Bronsted acid 18289
            oxoacid 18241
              carbon oxoacid 18126
                carboxylic acid 18114
                  monocarboxylic acid 17476
                    7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid 2
                      (3R,4S)-BW 245C 0
                        BW 245C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  organic heteromonocyclic compound 16469
                                    diazolidine 587
                                      imidazolidines 577
                                        imidazolidinone 478
                                          imidazolidine-2,4-dione 457
                                            7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid 2
                                              (3R,4S)-BW 245C 0
                                                BW 245C 0
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